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Temsavir

CAT: 0931-T4665-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T4665-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
701213-36-7
Target
HIV Protease
Related Pathways
Proteases/Proteasome, Microbiology/Virology
Purity
0.9914
Bioactivity
Temsavir (BMS626529) is a novel attachment inhibitor that targets HIV-1 gp120 and prevents its binding to CD4+ T cells.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
466946-01Temsavir
TRC-T017902-50MGTemsavir-D5
TRC-T017901-1GTemsavir-D3
HY-15440R-01Temsavir (Standard)
C17815-5mgTemsavir (BMS-626529)
MBS130747-01BMS-626529, Temsavir
A14148-25Temsavir (BMS 626529) 25mg
A14148-5Temsavir (BMS 626529) 5mg
A14148-100Temsavir (BMS 626529) 100mg
A14148-50Temsavir (BMS 626529) 50mg

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