Vismodegib (GDC-0449) is a novel potent, specific hedgehog inhibitor with an IC50 of 3 nM in cell-free trials that also inhibits P-gp with an IC50 of 3.0μM.

 

Brand: BCM

 

Melting Point: 179-181°C

 

Boiling Point: 561.6±50.0 °C(Predicted)

 

pKa: 10.72±0.70(Predicted)

 

Solubility: Soluble in DMSO. Insoluble in Ethanol; insoluble in Water.

 

Isomeric SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl  

 

InChIKey: BPQMGSKTAYIVFO-UHFFFAOYSA-N  

 

InChI: InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)

 

Attribute
[Chem Name]	2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
[Synonym]	Vismodegib; GDC-0449
[CAS No.]	879085-55-9
[EINECS]	806-752-3
[MDL No.]	MFCD12407408
[Formula]	C19H14Cl2N2O3S
[Molecular]	421.3
[Form]	Off-white or beige solid
[Storage]	Sealed in dry. Room Temperature

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