CAS RN 1144035-53-9

IUPAC Nombre: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate

Sinónimos: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate

Peso molecular (g/mol): 478.33

Fórmula molecular: C22H21Cl2N3O5

InChi Key: JMSUDQYHPSNBSN-UHFFFAOYSA-N

SMILES: ClC1=CC(COC(=O)N2CCN(CCC(=O)C3=CC=C4NC(=O)OC4=C3)CC2)=CC(Cl)=C1

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MedChemExpress PF-8380 is a potent autotaxin inhibitor with an IC50 of 2.8 nM in isolated enzyme assay and 101 nM in human whole blood.

Información de solubilidad	DMSO : 6.67 mg/mL (13.94 mM; ultrasonic and adjust pH to 5 with HCl)
Forma física	Solid
Almacenamiento recomendado	Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Color	Blanco
SMILES	O=C(N1CCN(CC1)CCC(C2=CC(O3)=C(C=C2)NC3=O)=O)OCC4=CC(Cl)=CC(Cl)=C4
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)	478.33
Fórmula molecular	C₂₂H₂₁Cl₂N₃O₅
CAS	1144035-53-9
Nombre del producto químico o material	PF-8380
Porcentaje de pureza	95.0%
Peso molecular (g/mol)	478.33
Grado	Research
Para utilizar con (aplicación)	Cancer-Kinase/protease