Products for Research Use Only

Temsavir

CAT: 0013-GTR19170453-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170453-02Size:5 mg
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Description
Temsavir (BMS-626529) is an investigational HIV-1 attachment inhibitor that blocks the gp120 glycoprotein, inhibiting viral entry into host CD4+ T-cells. It is a valuable research tool for studying viral entry mechanisms in vitro and has been evaluated in clinical trials for antiretroviral therapy.
CAS Number
701213-36-7
Product Name Alternative
Temsavir, inhibit, Inhibitor, Human immunodeficiency virus, HIV, HIV Protease, HIVProtease, BMS 626529, BMS626529, BMS-626529
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Purity
97.33% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.11 mM) ; DMSO:8.57 mg/mL (18.1 mM)
Smiles
COc1cnc (-n2cnc (C) n2) c2[nH]cc (C (=O) C (=O) N3CCN (CC3) C (=O) c3ccccc3) c12
Molecular Formula
C24H23N7O4
Molecular Weight
473.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Temsavir

structure in first source

CAS Number701213-36-7
PubChem CID11317439
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
Molecular FormulaC24H23N7O4
Molecular Weight473.5
XLogP1.7
Topological Polar Surface Area126
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity799
SMILES
CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC
InChI
InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3
InChIKey
QRPZBKAMSFHVRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Temsavir
CAS: 701213-36-7
CID: 11317439
Formula: C24H23N7O4
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight473.5
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass473.18115224
Monoisotopic Mass473.18115224
Topological Polar Surface Area126 Ų
Heavy Atom Count35
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes