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BMS-488043

CAT: 0013-GTR19195339-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195339-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-488043 is an oral small molecule HIV-1 fusion inhibitor that blocks viral attachment to CD4+ cells. It is a research tool for studying HIV entry mechanisms and has been evaluated in both in vitro antiviral assays and in vivo preclinical models of HIV infection.
CAS Number
452296-83-2
Product Name Alternative
UNII-MKS21EJ 435, UNII-MKS21EJ435, UNII-MKS21EJ-435, CHEMBL 238103, CHEMBL238103, CHEMBL-238103, BMS 488043, BMS043, BMS-043, BMS488043, BMS-488043, BMS 043, HIVProtease, HIV Protease, HIV
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Purity
99.41% (May vary between batches)
Solubility
DMSO:50 mg/mL (118.36 mM)
Smiles
C (C (=O) N1CCN (C (=O) C2=CC=CC=C2) CC1) (=O) C=3C=4C (=C (OC) N=CC4OC) NC3
Molecular Formula
C22H22N4O5
Molecular Weight
422.43
Storage Conditions
-20°C
Notes
For research use only.

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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