CAS No. 497223-28-6

Molecular Formula: C41H52N4O4S
Molecular Weight: 696.94098

Molecular Weight: 793.051
Molecular Formula: C42H56N4O7S2
Canonical SMILES: CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)CC5=CN=CN5CCC)CC(C)C.CS(=O)(=O)O
InChI: InChI=1S/C41H52N4O4S.CH4O3S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2;1-5(2,3)4/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46);1H3,(H,2,3,4)/b34-26+;
InChIKey: IXPBPUPDRDCRSY-WNRKZQPVSA-N
Purity: 99.04%
Solubility: In Vitro:
DMSO : 100 mg/mL(126.10 mM;Need ultrasonic)
In Vivo:
1.Add each solvent one by one:5% DMSO >> 40%PEG300 >> 5%Tween-80 >> 50% saline
Solubility: 2.5 mg/mL (3.15 mM); Clear solution; Need ultrasonic
2.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline
Solubility: ≥ 2.08 mg/mL (2.62 mM); Clear solution
3.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline)
Solubility: ≥ 2.08 mg/mL (2.62 mM); Clear solution
Storage: 4°C, sealed storage, away from moisture
* In solvent :
-80°C, 6 months
-20°C, 1 month (sealed storage, away from moisture)
Synonyms: TAK-652 mesylate; TAK 652 mesylate; TBR-652 mesylate; TBR 652 mesylate
Description
Cenicriviroc is an inhibitor of CCR2 and CCR5 receptors, allowing it to function as an entry inhibitor which prevents the virus from entering into a human cell as an experimental drug candidate for the treatment of HIV infection.


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