Products for Research Use Only

Vicriviroc maleate

CAT: 0013-GTR19172295-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172295-01Size:1 mg
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Description
Vicriviroc maleate is a potent piperazine-based CCR5 antagonist developed for HIV-1 treatment, demonstrating an IC50 of 0.91 nM. It has been investigated in clinical trials and is a valuable research tool for studying CCR5-mediated viral entry in both cellular and animal models of HIV infection.
CAS Number
599179-03-0
Product Name Alternative
Inhibit, HIV, HIV Protease, HIVProtease, Inhibitor, Human immunodeficiency virus, CCR, CC chemokine receptor, CCR5, SCH417690, SCH-417690, SCH-417690 (maleate), SCH-D, SCH-D (maleate), SCH 417690, Vicriviroc, Vicriviroc Maleate, Vicriviroc maleate
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
97.27% (May vary between batches)
Solubility
H2O:25 mg/mL (38.48 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.08 mM) ; DMSO:50 mg/mL (76.96 mM)
Smiles
OC (=O) \C=C/C (O) =O.COC[C@H] (N1CCN (C[C@@H]1C) C1 (C) CCN (CC1) C (=O) c1c (C) ncnc1C) c1ccc (cc1) C (F) (F) F
Molecular Formula
C32H42F3N5O6
Molecular Weight
649.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vicriviroc Maleate

Vicriviroc Maleate is a maleate salt form of Vicriviroc, a piperazine-based CCR5 receptor antagonist with activity against human immunodeficiency virus. Vicriviroc is designed to bind to CCR5 and inhibit the entry of HIV into CD4 cells.

CAS Number599179-03-0
PubChem CID6451165
IUPAC Name(Z)-but-2-enedioic acid;(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular FormulaC32H42F3N5O6
Molecular Weight649.7
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count46
Formal Charge0
Complexity892
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
InChI
InChI=1S/C28H38F3N5O2.C4H4O4/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3;5-3(6)1-2-4(7)8/h6-9,18-19,24H,10-17H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24-;/m0./s1
InChIKey
GXINKQQWHLIBJA-UCIBKFKQSA-N
Chemical Structure
2D Structure
2D structure of Vicriviroc Maleate
CAS: 599179-03-0
CID: 6451165
Formula: C32H42F3N5O6
MW: 649.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight649.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass649.30871856
Monoisotopic Mass649.30871856
Topological Polar Surface Area136 Ų
Heavy Atom Count46
Formal Charge0
Complexity892
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes