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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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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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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...
View on PubChemRaw 3D data
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

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Alternative Products

CatalogName
HY-17377-01Vicriviroc (maleate)
M15229-01Vicriviroc maleate
A15276-100Vicriviroc maleate 100mg
A15276-50Vicriviroc maleate 50mg
A15276-10Vicriviroc maleate 10mg
A15276-25Vicriviroc maleate 25mg
A15276-5Vicriviroc maleate 5mg
A15276-1Vicriviroc maleate 1mg
MBS130967-01Vicriviroc maleate(Sch-417690)
A15276-10mM-DVicriviroc maleate 10mM * 1mL in DMSO

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