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599179-03-0

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599179-03-0 Structure

599179-03-0 Structure
IdentificationBack Directory
[Name]

VICRIVIROC MALEATE
[CAS]

599179-03-0
[Synonyms]

SCH-D
CS-1868
Unii-ep3qg127N9
SCH-D (maleate)
SCH-417690; SCH-D
VICRIVIROC MALEATE
SCH-417690 (maleate)
vicriviroc Maleate salt
VICRIVIROC MALEATE: SCH-D
Vicriviroc Malate(maleate)
Vicriviroc Maleate(SCH 417690)
(4,6-dimethylpyrimidin-5-yl)(4-((S)-4-((R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)-4-methylpiperidin-1-yl)methanone maleate
(4,6-diMethylpyriMidin-5-yl)(4-((S)-4-((R)-2-Methoxy-1-(4-(trifluoroMethyl)phenyl)ethyl)-3-Methylpiperazin-1-yl)-4-Methylpiperidin-1-yl)Methanone fuMarate
1-[(4,6-Dimethyl-5-pyrimidinyl)carbonyl]-4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methylpiperidine (2Z)-2-butenedioate
Vicriviroc maleate 1-[(4,6-Dimethyl-5-pyrimidinyl)carbonyl]-4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methylpiperidine (2Z)-2-butenedioate
1-[(4,6-Dimethyl-5-pyrimidinyl)carbonyl]-4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methylpiperidine (2Z)-2-butenedioate VicrivirocMalate
[Molecular Formula]

C32H42F3N5O6
[MDL Number]

MFCD09833218
[MOL File]

599179-03-0.mol
[Molecular Weight]

649.701
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 50 mg/mL (76.96 mM; Need ultrasonic)H2O : 25 mg/mL (38.48 mM; Need ultrasonic and warming)
[form ]

Powder
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Exclamation Mark (GHS07)
GHS08,GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H302-H373
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P260-P314-P501-P264-P270-P301+P312-P330-P501
Hazard InformationBack Directory
[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.
[storage]

Store at -20°C
[References]

[1] JAYARAM R. TAGAT. Piperazine-Based CCR5 Antagonists as HIV-1 Inhibitors. IV. Discovery of 1-[(4,6-Dimethyl-5-pyrimidinyl)carbonyl]- 4-[4-{2-methoxy-1(R)-4-(trifluoromethyl)phenyl}ethyl-3(S)-methyl-1-piperazinyl]- 4-methylpiperidine (Sch-417690/Sch-D), a Potent, Highly Selective, and Orally Bioavailable CCR5 Antagonist[J]. Journal of Medicinal Chemistry, 2004, 47 10: 2405-2408. DOI: 10.1021/jm0304515
[2] JULIE M STRIZKI. Discovery and characterization of vicriviroc (SCH 417690), a CCR5 antagonist with potent activity against human immunodeficiency virus type 1.[J]. Antimicrobial Agents and Chemotherapy, 2005: 4911-4919. DOI: 10.1128/aac.49.12.4911-4919.2005
Spectrum DetailBack Directory
[Spectrum Detail]

VICRIVIROC MALEATE(599179-03-0)1HNMR
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