Vicriviroc maleate

Base Information

• Chemical Name: Vicriviroc maleate
• CAS No.: 599179-03-0
• Molecular Formula: C32H42F3N5O6
• Molecular Weight: 649.70
• European Community (EC) Number: 682-748-3
• UNII: EP3QG127N9
• Wikidata: Q27277288
• NCI Thesaurus Code: C73146
• ChEMBL ID: CHEMBL2107384
• Mol file: 599179-03-0.mol

Synonyms:1-((4,6-dimethyl-5-pyrimidinyl)carbonyl)-4-(4-(2-methoxy-4-(trifluoromethyl)phenyl)ethyl-3-methyl-1-piperazinyl)-4-methylpiperidine;Sch 417690;Sch-417690;Sch417690;vicriviroc

Chemical Property of Vicriviroc maleate

Chemical Property:

• Vapor Pressure: 9.89E-15mmHg at 25°C
• Boiling Point: 608.1 °C at 760 mmHg
• Flash Point: 321.5 °C
• PSA: 136.40000
• LogP: 4.02620
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 649.30871856
• Heavy Atom Count: 46
• Complexity: 892

Purity/Quality:

99%, ^*data from raw suppliers

Vicrivirocmaleate(Sch-417690) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1C(COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C[C@H]1CN(CCN1[C@@H](COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C.C(=C\C(=O)O)\C(=O)O
• Recent ClinicalTrials: Vicriviroc (SCH 417690) Treatment Protocol in Human Immunodeficiency Virus (HIV)-Infected Participants: A Rollover Study for ACTG Protocol A5211 (P04100)
• Recent EU Clinical Trials: COVER- Registro de observación continua tras exposición Vicriviroc (VCV)
• Description: Vicriviroc is a chemokine (C-C motif) receptor 5 (CCR5) antagonist (Ki = 2.5 nM). It selectively inhibits CCR5 over M1 and M2 muscarinic acetylcholine receptors (Kis = >10,000 nM for both) and human-ether-a-go-go (hERG) potassium channels (IC50 = 5.8 μM). Vicriviroc decreases chemotaxis induced by chemokine (C-C motif) ligand 3 (CCL3) in Ba/F3 cells expressing recombinant human CCR5 with an IC50 value of 0.91 nM. It inhibits the replication of 30 R5-tropic HIV-1 clinical isolates in peripheral blood mononuclear cells (PBMCs; EC50s = 0.04-1.4 nM) and reduces viral entry of seven drug-resistant strains of HIV-1 in U87 cells expressing CD4 and CCR5 (EC50s = 8.7-32.9 nM).
• Uses: Antiviral, CCR5 antagonist, treatment of autoimmune conditions.