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Azepanes

Compuestos orgánicos heterocíclicos que consisten en un anillo de siete miembros compuesto de seis átomos de carbono, un átomo de nitrógeno y trece átomos de hidrógeno; estos compuestos son aminas secundarias cíclicas.
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1 – 15 de 18 resultados
1

Hexametilenoimina, 99 %, Thermo Scientific Chemicals

CAS: 111-49-9 Fórmula molecular: C6H13N Peso molecular (g/mol): 99.17 Número MDL: MFCD00006934 Clave InChI: ZSIQJIWKELUFRJ-UHFFFAOYSA-N Sinónimo: hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine PubChem CID: 8119 ChEBI: CHEBI:32616 Nombre IUPAC: azepano SMILES: C1CCCNCC1

Sinónimo hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine
Clave InChI ZSIQJIWKELUFRJ-UHFFFAOYSA-N
PubChem CID 8119
Fórmula molecular C6H13N
CAS 111-49-9
ChEBI CHEBI:32616
Peso molecular (g/mol) 99.17
Número MDL MFCD00006934
SMILES C1CCCNCC1
Nombre IUPAC azepano
2

1,8-Diazabiciclo[5.4.0]undec-7-eno, 98+ %, Thermo Scientific Chemicals

CAS: 6674-22-2 Número MDL: MFCD00006930 Clave InChI: GQHTUMJGOHRCHB-UHFFFAOYSA-N Sinónimo: 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 Nombre IUPAC: 2,3,4,6,7,8,9,10-octahidropirimido[1,2-a]azepina SMILES: C1CCC2=NCCCN2CC1

Sinónimo 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
Clave InChI GQHTUMJGOHRCHB-UHFFFAOYSA-N
PubChem CID 81184
CAS 6674-22-2
Número MDL MFCD00006930
SMILES C1CCC2=NCCCN2CC1
Nombre IUPAC 2,3,4,6,7,8,9,10-octahidropirimido[1,2-a]azepina
3

1,8-Diazabiciclo[5.4.0]undec-7-eno, 98+ %, Thermo Scientific Chemicals

CAS: 6674-22-2 Fórmula molecular: C9H16N2 Peso molecular (g/mol): 152.241 Número MDL: MFCD00006930 Clave InChI: GQHTUMJGOHRCHB-UHFFFAOYSA-N Sinónimo: 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 Nombre IUPAC: 2,3,4,6,7,8,9,10-octahidropirimido[1,2-a]azepina SMILES: C1CCC2=NCCCN2CC1

Sinónimo 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
Clave InChI GQHTUMJGOHRCHB-UHFFFAOYSA-N
PubChem CID 81184
Fórmula molecular C9H16N2
CAS 6674-22-2
Peso molecular (g/mol) 152.241
Número MDL MFCD00006930
SMILES C1CCC2=NCCCN2CC1
Nombre IUPAC 2,3,4,6,7,8,9,10-octahidropirimido[1,2-a]azepina
4

N-(2-hidroxietil)hexametileneimina, 95 %, Thermo Scientific Chemicals

CAS: 20603-00-3 Fórmula molecular: C8H17NO Peso molecular (g/mol): 143.23 Número MDL: MFCD00020988 Clave InChI: VMRYMOMQCYSPHS-UHFFFAOYSA-N Sinónimo: 2-azepan-1-yl ethanol,hexahydro-1h-azepine-1-ethanol,n-2-hydroxyethyl hexamethyleneimine,2-azepan-1-yl ethan-1-ol,2-hexamethyleneimino ethanol,2-azaperhydroepinylethan-1-ol,2-azepan-1-ylethan-1-ol,2-azepan-1-yl ;ethanol,2-n-hexamethyleneimino ethanol,1-2-hydroxyethyl homopiperidine PubChem CID: 88615 Nombre IUPAC: 2-(azepan-1-il)etanol SMILES: C1CCCN(CC1)CCO

Sinónimo 2-azepan-1-yl ethanol,hexahydro-1h-azepine-1-ethanol,n-2-hydroxyethyl hexamethyleneimine,2-azepan-1-yl ethan-1-ol,2-hexamethyleneimino ethanol,2-azaperhydroepinylethan-1-ol,2-azepan-1-ylethan-1-ol,2-azepan-1-yl ;ethanol,2-n-hexamethyleneimino ethanol,1-2-hydroxyethyl homopiperidine
Clave InChI VMRYMOMQCYSPHS-UHFFFAOYSA-N
PubChem CID 88615
Fórmula molecular C8H17NO
CAS 20603-00-3
Peso molecular (g/mol) 143.23
Número MDL MFCD00020988
SMILES C1CCCN(CC1)CCO
Nombre IUPAC 2-(azepan-1-il)etanol
5

Hexametilenoimina, +98 %, Thermo Scientific Chemicals

CAS: 111-49-9 Fórmula molecular: C6H13N Peso molecular (g/mol): 99.177 Número MDL: MFCD00006934 Clave InChI: ZSIQJIWKELUFRJ-UHFFFAOYSA-N Sinónimo: hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine PubChem CID: 8119 ChEBI: CHEBI:32616 Nombre IUPAC: azepano SMILES: C1CCCNCC1

Sinónimo hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine
Clave InChI ZSIQJIWKELUFRJ-UHFFFAOYSA-N
PubChem CID 8119
Fórmula molecular C6H13N
CAS 111-49-9
ChEBI CHEBI:32616
Peso molecular (g/mol) 99.177
Número MDL MFCD00006934
SMILES C1CCCNCC1
Nombre IUPAC azepano
6

3-(1-Azepanil)-2,2-dimetilpropilamina, ≥95 %, Thermo Scientific™

CAS: 845885-85-0 Fórmula molecular: C11H24N2 Peso molecular (g/mol): 184.327 Número MDL: MFCD06200874 Clave InChI: SUDFIJJDSKVMSO-UHFFFAOYSA-N Sinónimo: 3-azepan-1-yl-2,2-dimethylpropan-1-amine,3-1-azepanyl-2,2-dimethylpropylamine,3-azepan-1-yl-2,2-dimethyl-propylamine,1h-azepine-1-propanamine,hexahydro-b,b-dimethyl,3-azaperhydroepinyl-2,2-dimethylpropylamine PubChem CID: 2794705 Nombre IUPAC: 3-(azepan-1-il)-2,2-dimetilpropan-1-amina SMILES: CC(C)(CN)CN1CCCCCC1

Sinónimo 3-azepan-1-yl-2,2-dimethylpropan-1-amine,3-1-azepanyl-2,2-dimethylpropylamine,3-azepan-1-yl-2,2-dimethyl-propylamine,1h-azepine-1-propanamine,hexahydro-b,b-dimethyl,3-azaperhydroepinyl-2,2-dimethylpropylamine
Clave InChI SUDFIJJDSKVMSO-UHFFFAOYSA-N
PubChem CID 2794705
Fórmula molecular C11H24N2
CAS 845885-85-0
Peso molecular (g/mol) 184.327
Número MDL MFCD06200874
SMILES CC(C)(CN)CN1CCCCCC1
Nombre IUPAC 3-(azepan-1-il)-2,2-dimetilpropan-1-amina
7

Clorhidrato de azelastina, Thermo Scientific Chemicals

CAS: 79307-93-0 Fórmula molecular: C22H25Cl2N3O Peso molecular (g/mol): 418.36 Número MDL: MFCD00242783 Clave InChI: YEJAJYAHJQIWNU-UHFFFAOYNA-N Nombre IUPAC: cloruro de hidrógeno 4-[(4-clorofenil)metil]-2-(1-metilazepan-4-il)-1,2-dihidroftalazin-1-ona SMILES: [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O

Clave InChI YEJAJYAHJQIWNU-UHFFFAOYNA-N
Fórmula molecular C22H25Cl2N3O
CAS 79307-93-0
Peso molecular (g/mol) 418.36
Número MDL MFCD00242783
SMILES [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O
Nombre IUPAC cloruro de hidrógeno 4-[(4-clorofenil)metil]-2-(1-metilazepan-4-il)-1,2-dihidroftalazin-1-ona
8

N-BOC-Hexahidro-1H-azepin-4-ona, 97 %, Thermo Scientific Chemicals

CAS: 188975-88-4 Fórmula molecular: C11H19NO3 Peso molecular (g/mol): 213.28 Número MDL: MFCD03788435 Clave InChI: PMLBUVZPRKXMOX-UHFFFAOYSA-N Sinónimo: n-boc-hexahydro-1h-azepin-4-one,1-boc-hexahydro-1h-azepin-4-one,4-oxoazepane-1-carboxylic acid tert-butyl ester,1-boc-homopiperazin-4-one,1-boc-4-azepanone,n-boc-hexahydro-1h-azepine-4-one,tert-butyl hexahydro-4-oxo-1h-azepine-1-carboxylate,1-tert-butoxycarbonyl-4-oxoazepane,4-oxo-azepane-1-carboxylic acid tert-butyl ester,1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate PubChem CID: 1512679 Nombre IUPAC: terc-butilo 4-oxoazepano-1-carboxilato SMILES: CC(C)(C)OC(=O)N1CCCC(=O)CC1

Sinónimo n-boc-hexahydro-1h-azepin-4-one,1-boc-hexahydro-1h-azepin-4-one,4-oxoazepane-1-carboxylic acid tert-butyl ester,1-boc-homopiperazin-4-one,1-boc-4-azepanone,n-boc-hexahydro-1h-azepine-4-one,tert-butyl hexahydro-4-oxo-1h-azepine-1-carboxylate,1-tert-butoxycarbonyl-4-oxoazepane,4-oxo-azepane-1-carboxylic acid tert-butyl ester,1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate
Clave InChI PMLBUVZPRKXMOX-UHFFFAOYSA-N
PubChem CID 1512679
Fórmula molecular C11H19NO3
CAS 188975-88-4
Peso molecular (g/mol) 213.28
Número MDL MFCD03788435
SMILES CC(C)(C)OC(=O)N1CCCC(=O)CC1
Nombre IUPAC terc-butilo 4-oxoazepano-1-carboxilato
9

Clorhidrato de cloruro de 2-(hexametilenimino)etilo, 98 %, Thermo Scientific Chemicals

CAS: 26487-67-2 Fórmula molecular: C8H17Cl2N Peso molecular (g/mol): 198.131 Número MDL: MFCD00012842 Clave InChI: ZQDSOUPBYJIPNM-UHFFFAOYSA-N Sinónimo: 1-2-chloroethyl azepane hydrochloride,2-hexamethyleneimino ethyl chloride hydrochloride,1h-azepine, hydrochloride,2-chloroethylhexamethylenemine hydrochloride,1-2-chloroethyl hexamethyleneimine hydrochloride,2-chloroethyl hexamethylene imine hydrochloride,2-chloroethyl azaperhydroepine, chloride,pubchem21389,1-2-chloroethyl azepane hcl,wln: t7ntj a2g &gh PubChem CID: 24188283 Nombre IUPAC: 1-(2-cloroetil)azepano; clorhidrato SMILES: C1CCCN(CC1)CCCl.Cl

Sinónimo 1-2-chloroethyl azepane hydrochloride,2-hexamethyleneimino ethyl chloride hydrochloride,1h-azepine, hydrochloride,2-chloroethylhexamethylenemine hydrochloride,1-2-chloroethyl hexamethyleneimine hydrochloride,2-chloroethyl hexamethylene imine hydrochloride,2-chloroethyl azaperhydroepine, chloride,pubchem21389,1-2-chloroethyl azepane hcl,wln: t7ntj a2g &gh
Clave InChI ZQDSOUPBYJIPNM-UHFFFAOYSA-N
PubChem CID 24188283
Fórmula molecular C8H17Cl2N
CAS 26487-67-2
Peso molecular (g/mol) 198.131
Número MDL MFCD00012842
SMILES C1CCCN(CC1)CCCl.Cl
Nombre IUPAC 1-(2-cloroetil)azepano; clorhidrato
10

Clorhidrato de 8-oxa-3-azabiciclo[3.2.1]octano, 97 %, Thermo Scientific Chemicals

CAS: 54745-74-3 Fórmula molecular: C6H12ClNO Peso molecular (g/mol): 149.62 Número MDL: MFCD17926456,MFCD09800611 Clave InChI: XADOTNAXKKFKDY-UHFFFAOYNA-N Sinónimo: 8-oxa-3-azabicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclo 3,2,1 octane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane hcl,8-oxa-3-azabicyclo 3.2.1 octanehydrochloride,8-oxa-3-azabicyclo 3.2.1 octane, hydrochloride,8-oxa-3-aza-bicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclooctane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane-hcl,8-oxa-3-aza-bicyclo 3.2.1 octane hcl PubChem CID: 21983536 SMILES: Cl.C1CC2CNCC1O2

Sinónimo 8-oxa-3-azabicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclo 3,2,1 octane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane hcl,8-oxa-3-azabicyclo 3.2.1 octanehydrochloride,8-oxa-3-azabicyclo 3.2.1 octane, hydrochloride,8-oxa-3-aza-bicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclooctane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane-hcl,8-oxa-3-aza-bicyclo 3.2.1 octane hcl
Clave InChI XADOTNAXKKFKDY-UHFFFAOYNA-N
PubChem CID 21983536
Fórmula molecular C6H12ClNO
CAS 54745-74-3
Peso molecular (g/mol) 149.62
Número MDL MFCD17926456,MFCD09800611
SMILES Cl.C1CC2CNCC1O2
11

N-Boc-hexahidro-1H-azepina-4-ona, 98 %, Thermo Scientific Chemicals

CAS: 188975-88-4 Fórmula molecular: C11H19NO3 Peso molecular (g/mol): 213.28 Número MDL: MFCD03788435 Clave InChI: PMLBUVZPRKXMOX-UHFFFAOYSA-N Sinónimo: n-boc-hexahydro-1h-azepin-4-one,1-boc-hexahydro-1h-azepin-4-one,4-oxoazepane-1-carboxylic acid tert-butyl ester,1-boc-homopiperazin-4-one,1-boc-4-azepanone,n-boc-hexahydro-1h-azepine-4-one,tert-butyl hexahydro-4-oxo-1h-azepine-1-carboxylate,1-tert-butoxycarbonyl-4-oxoazepane,4-oxo-azepane-1-carboxylic acid tert-butyl ester,1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate PubChem CID: 1512679 Nombre IUPAC: terc-butilo 4-oxoazepano-1-carboxilato SMILES: CC(C)(C)OC(=O)N1CCCC(=O)CC1

Sinónimo n-boc-hexahydro-1h-azepin-4-one,1-boc-hexahydro-1h-azepin-4-one,4-oxoazepane-1-carboxylic acid tert-butyl ester,1-boc-homopiperazin-4-one,1-boc-4-azepanone,n-boc-hexahydro-1h-azepine-4-one,tert-butyl hexahydro-4-oxo-1h-azepine-1-carboxylate,1-tert-butoxycarbonyl-4-oxoazepane,4-oxo-azepane-1-carboxylic acid tert-butyl ester,1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate
Clave InChI PMLBUVZPRKXMOX-UHFFFAOYSA-N
PubChem CID 1512679
Fórmula molecular C11H19NO3
CAS 188975-88-4
Peso molecular (g/mol) 213.28
Número MDL MFCD03788435
SMILES CC(C)(C)OC(=O)N1CCCC(=O)CC1
Nombre IUPAC terc-butilo 4-oxoazepano-1-carboxilato
12

ANA-12, MedChemExpress

MedChemExpress ANA-12 is a potent and selective TrkB antagonist with IC50s of 45.6 nM and 41.1 μM for the high and low affinity sites, respectively.

ENCOMPASS_PREFERRED
Información de solubilidad DMSO : 9.09 mg/mL (22.31 mM; Need ultrasonic) ∣Ethanol : < 1 mg/mL (ultrasonic) (insoluble)
Forma física Solid
Almacenamiento recomendado Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Peligro para la salud 1 H302
Color Blanco
SMILES O=C(C1=CC2=CC=CC=C2S1)NC3=CC=CC=C3C(NC4C(NCCCC4)=O)=O
Notas de grado de pureza Research
Duración de almacenamiento Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Formula Weight (peso de la fórmula) 407.49
Fórmula molecular C22H21N3O3S
CAS 219766-25-3
Nombre del producto químico o material ANA-12
Porcentaje de pureza 99.3%
Peso molecular (g/mol) 407.49
Grado Research
Para utilizar con (aplicación) Neuroscience-Neuromodulation
13

Brepocitinib P-Tosylate, MedChemExpress

MedChemExpress Brepocitinib (PF-06700841) P-Tosylate is a potent dual Janus kinase 1 (JAK1) and TYK2 inhibitor with IC50s of 17 nM and 23 nM, respectively. Brepocitinib P-Tosylate also inhibits JAK2 and JAK3 with IC50s of 77 nM and 6.49 μM, respectively.

ENCOMPASS_PREFERRED
Sinónimo PF-06700841 P-Tosylate
Información de solubilidad DMSO : 62.5 mg/mL (111.29 mM; Need ultrasonic)
Forma física Solid
Almacenamiento recomendado 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Color Blanco
SMILES O=C([C@H]1C(F)(F)C1)N2C3CN(C4=NC(NC5=CN(C)N=C5)=NC=C4)CC2CC3.O=S(C6=CC=C(C)C=C6)(O)=O
Notas de grado de pureza Research
Duración de almacenamiento 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Formula Weight (peso de la fórmula) 561.6
Fórmula molecular C25H29F2N7O4S
CAS 2140301-96-6
Nombre del producto químico o material Brepocitinib P-Tosylate
Porcentaje de pureza 99.69%
Peso molecular (g/mol) 561.6
Grado Research
Para utilizar con (aplicación) COVID-19-immunoregulation
14

Azelastine hydrochloride, MedChemExpress

MedChemExpress Azelastine hydrochloridem, an antihistamine, is a potent and selective histamine 1 (H1) antagonist. Azelastine hydrochloride can be used for the research of allergic rhinitis, asthma, diabetic hyperlipidemic and SARS-CoV-2.

ENCOMPASS_PREFERRED
Información de solubilidad DMSO : 50 mg/mL (119.51 mM; Need ultrasonic) ∣H2O : 6.67 mg/mL (15.94 mM; Need ultrasonic)
Forma física Solid
Almacenamiento recomendado 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Peligro para la salud 1 H302
Color Blanco
SMILES O=C1N(C2CCN(C)CCC2)N=C(CC3=CC=C(Cl)C=C3)C4=C1C=CC=C4.Cl
Notas de grado de pureza Research
Duración de almacenamiento 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Formula Weight (peso de la fórmula) 418.36
Fórmula molecular C22H25Cl2N3O
CAS 79307-93-0
Nombre del producto químico o material Azelastine hydrochloride
Porcentaje de pureza 99.93%
Peso molecular (g/mol) 418.36
Grado Research
Para utilizar con (aplicación) COVID-19-immunoregulation
15

Beperidium iodide, MedChemExpress

MedChemExpress Beperidium iodide shows a competitive antagonistic effect against acetylcholine receptor with a pA2 of 7.93.

ENCOMPASS_PREFERRED
Sinónimo SX 810
Información de solubilidad DMSO : ≥ 100 mg/mL (189.60 mM)
Forma física Solid
Almacenamiento recomendado 4°C, sealed storage, away from moisture and light∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture and light)
Color Blanco
SMILES C[N+]1(CC)CCC(OC(C(C2=NOC3=C2C=CC=C3)N4CCCCCC4)=O)CC1.[I-]
Notas de grado de pureza Research
Duración de almacenamiento 4°C, sealed storage, away from moisture and light∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture and light)
Formula Weight (peso de la fórmula) 527.44
Fórmula molecular C23H34IN3O3
CAS 86434-57-3
Nombre del producto químico o material Beperidium iodide
Porcentaje de pureza 99.79%
Peso molecular (g/mol) 527.44
Grado Research
Para utilizar con (aplicación) COVID-19-immunoregulation