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Fostemsavir Tris

CAT: 0013-GTR19178224-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19178224-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fostemsavir Tris (BMS-663068 Tris) is an oral prodrug of the active attachment inhibitor BMS-626529. It blocks HIV-1 infection by binding to viral gp120, preventing its attachment to host CD4+ T-cells. This mechanism has been validated in both in vitro antiviral assays and in vivo clinical research for antiretroviral therapy.
CAS Number
864953-39-9
Product Name Alternative
BMS663068, BMS-663068, BMS-663068 Tris, BMS 663068, inhibit, Inhibitor, HIV, HIV Protease, HIV-1, HIVProtease, Fostemsavir, Fostemsavir Tris, Human immunodeficiency virus
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
99.45% (May vary between batches)
Solubility
H2O:100 mg/mL (141.92 mM) ; DMSO:125 mg/mL (177.4 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (5.68 mM)
Smiles
O=C (N1CCN (C (C2=CC=CC=C2) =O) CC1) C (C3=CN (COP (O) (O) =O) C4=C3C (OC) =CN=C4N5N=C (C) N=C5) =O.OCC (CO) (N) CO
Molecular Formula
C29H37N8O11P
Molecular Weight
704.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fostemsavir Tromethamine

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 Number864953-39-9
PubChem CID46892186
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;[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 FormulaC29H37N8O11P
Molecular Weight704.6
Topological Polar Surface Area269
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count49
Formal Charge0
Complexity1070
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.C(C(CO)(CO)N)O
InChI
InChI=1S/C25H26N7O8P.C4H11NO3/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;5-4(1-6,2-7)3-8/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38);6-8H,1-3,5H2
InChIKey
RRGJSMBMTOKHTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fostemsavir Tromethamine
CAS: 864953-39-9
CID: 46892186
Formula: C29H37N8O11P
MW: 704.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight704.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass704.23194102
Monoisotopic Mass704.23194102
Topological Polar Surface Area269 Ų
Heavy Atom Count49
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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