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BMS-488043

CAT: 1410-M34526-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M34526-05Size:50 mg
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Description
BMS-488043 is a novel and unique oral small molecule HIV fusion inhibitor that inhibits the attachment of Human Immunodeficiency Virus type 1 (HIV-1) to CD4 (+) lymphocytes.BMS-488043 is used for the treatment of immune disorders, infections, and genitourinary disorders, and can be used in the study of HIV infect
CAS Number
452296-83-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
422.43
Molecular Formula
C22H22N4O5
Notes
Research use only, not for human use.
Receptor
HIV Protease

Chemical Information

Bms-488043

BMS-488043 has been investigated as an anti-HIV agent.

CAS Number452296-83-2
PubChem CID507806
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
Molecular FormulaC22H22N4O5
Molecular Weight422.4
XLogP1.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity675
SMILES
COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3
InChIKey
DBPMWRYLTBNCCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-488043
CAS: 452296-83-2
CID: 507806
Formula: C22H22N4O5
MW: 422.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass422.15901982
Monoisotopic Mass422.15901982
Topological Polar Surface Area105 Ų
Heavy Atom Count31
Formal Charge0
Complexity675
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

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