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Maraviroc (Celsentri,UK-427857) is a CCR5 antagonist that acts on MIP-1α, MIP-1β, and RANTES with IC50 values of 3.3 nM, 7.2 nM, and 5.2 nM, respectively, in cell-free trials. Maraviroc can be used to treat HIV infection.
Brand: BCM
Melting Point: 79-81°C
pKa: 7.3(at 25℃)
Solubility: Soluble in DMSO; soluble in Ethanol. Insoluble in Water.
Isomeric SMILES: CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C
InChIKey: GSNHKUDZZFZSJB-HLMSNRGBSA-N
InChI: InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1
Attribute [Chem Name] 4,4-Difluoro-N-((S)-3-((1R,3R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide [Synonym] Maraviroc; UK-427857; Celsentri [CAS No.] 376348-65-1 [EINECS] 609-456-0 [MDL No.] MFCD09953791 [Formula] C29H41F2N5O [Molecular] 513.68 [Form] White powder [Storage] Keep in dark place. Sealed in dry, 2-8°C
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