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BMS-663068

CAT: 0607-A3254-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0607-A3254-2Size:2 mg
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Description
HIV-1 attachment inhibitor
CAS Number
864953-29-7
Product Name Alternative
(3-(2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl)-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl)methyl dihydrogen phosphate
Sequence
BMS663068;BMS 663068
Field of Research
Microbiology & Virology gp120 CD4
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CC1=NN(C2=NC=C(OC)C3=C2N(COP(O)(O)=O)C=C3C(C(N4CCN(C(C5=CC=CC=C5)=O)CC4)=O)=O)C=N1
Molecular Formula
C25H26N7O8P
Molecular Weight
583.49
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Fostemsavir

Fostemsavir (brand name: Rukobia) is a prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of HIV in adults for whom other HIV medicines have not worked and who meet certain requirements, as determined by a health care provider. Fostemsavir is always used in combination with other HIV medicines.

CAS Number864953-29-7
PubChem CID11319217
IUPAC Name[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
Molecular FormulaC25H26N7O8P
Molecular Weight583.5
XLogP-0.1
Topological Polar Surface Area182
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity1020
SMILES
CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)COP(=O)(O)O)OC
InChI
InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)
InChIKey
SWMDAPWAQQTBOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fostemsavir
CAS: 864953-29-7
CID: 11319217
Formula: C25H26N7O8P
MW: 583.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.5
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass583.15804781
Monoisotopic Mass583.15804781
Topological Polar Surface Area182 Ų
Heavy Atom Count41
Formal Charge0
Complexity1020
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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Alternative Products

CatalogName
B2299-5BMS-663068
MBS3840783-01BMS-663068 (Fostemsavir)
A15025-50BMS-663068 50mg
A15025-10BMS-663068 10mg
MBS3840784-01BMS-663068 Tris
MBS130748-01BMS-663068, Fostemsavir
A15025-5BMS-663068 5mg
A15025-1BMS-663068 (Fostemsavir) 1mg
A15026-5BMS-663068 Tris 5mg
A15026-1BMS-663068 Tris 1mg

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