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BMS-585248

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Category Human immunodeficiency Virus (HIV)
CAS 619331-12-3
Description BMS585248 is a highly potent and novel human immunodeficiency virus type 1 (HIV-1) attachment inhibitor with 4-fluoro-6-azaindole core heterocycles. It targets the viral envelope protein gp120. It showed much improved in vitro potency and pharmacokinetic properties than the previous clinical candidate BMS488043.
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Product Information

Synonyms BMS-585248;619331-12-3;UNII-CIO2TZZ9H1;CIO2TZZ9H1;1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-fluoro-7-(1H-1,2,3-triazol-1-yl)-1H-pyrrolo(2,3-C)pyridin-3-yl)-;BMS 585248;1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;Piperazine, 1-benzoyl-4-((4-fluoro-7-(1H-1,2,3-triazol-1-yl)-1H-pyrrolo(2,3-C)pyridin-3-yl)oxoacetyl)-;1-(4-Benzoylpiperazin-1-yl)-2-(4-fluoro-7-(1,2,3)triazol-1-yl-1H-pyrrolo(2,3-c)pyridin-3-yl)ethane-1,2-dione;CHEMBL236995;SCHEMBL2628937;AKOS040750870;BMS-585428;DA-71584;HY-13829;CS-0007961;Q27275484;1-(4-benzoyl-piperazin-1-yl)-2-(4-fluoro-7-(1,2,3)triazol-1-yl-1H-pyrrolo(2,3-c)pyridin-3-yl)-ethane-1,2-dione;Piperazine, 1-benzoyl-4-[2-[4-fluoro-7-(1H-1,2,3-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-;
IUPAC Name 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
Molecular Weight 574.4
Molecular Formula C26H21Cl2N3O6S
Canonical SMILES CCC(=O)NS(=O)(=O)C1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)C#N)Cl)C
InChI InChI=1S/C22H18FN7O3/c23-16-13-25-20(30-7-6-26-27-30)18-17(16)15(12-24-18)19(31)22(33)29-10-8-28(9-11-29)21(32)14-4-2-1-3-5-14/h1-7,12-13,24H,8-11H2
InChIKey YILIMUKOYIOIAY-UHFFFAOYSA-N
Boiling Point 733.0±70.0 °C | Condition: Press: 760 Torr
Purity 98%
Density 1.54±0.1 g/cm3 | Condition: Temp: 20 °C Press: 760 Torr
Solubility Soluble in DMSO, not in water
Appearance Solid powder
Application BMS585248 targets the viral envelope protein gp120.
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

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