PF-4136309 (INCB8761, PF-04136309) is a potent, selective, oral bioavailable CCR2 antagonist with an IC50 of 5.2 nM for human CCR2.

 

Brand: BCM

 

Target: CCR

 

Signaling Pathways: Immunology/Inflammation; Microbiology/Virology

 

Boiling Point: 712.2±60.0 °C(Predicted)

 

pKa: 13.17±0.46(Predicted)

 

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

 

GHS: GHS07

 

Isomeric SMILES: C1CN(C[C@H]1NC2CCC(CC2)(C3=NC=C(C=C3)C4=NC=CC=N4)O)C(=O)CNC(=O)C5=CC(=CC=C5)C(F)(F)F  

 

InChIKey: ZNSVOHSYDRPBGI-CBQRAPNFSA-N  

 

InChI: InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22?,23-,28?/m0/s1

 

Attribute
[Chem Name]	N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-2-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
[Synonym]	INCB8761; PF-04136309
[CAS No.]	1341224-83-6
[MDL No.]	MFCD22124474
[Formula]	C29H31F3N6O3
[Molecular]	568.59
[Form]	Off-white solid powder
[Storage]	Keep in dark place. Inert atmosphere. Store in freezer, under -20°C

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