Fostemsavir

Base Information

• Chemical Name: Fostemsavir
• CAS No.: 864953-29-7
• Deprecated CAS: 1421365-01-6
• Molecular Formula: C25H26N7O8P
• Molecular Weight: 583.497
• UNII: 97IQ273H4L
• ChEMBL ID: CHEMBL3301594
• DSSTox Substance ID: DTXSID40235596
• Metabolomics Workbench ID: 144574
• NCI Thesaurus Code: C175066
• Nikkaji Number: J2.933.503F
• RXCUI: 2380373
• Wikidata: Q17001240
• Wikipedia: Fostemsavir
• Mol file: 864953-29-7.mol

Synonyms:(3-((4-Benzoyl-1-piperazinyl)(oxo)acetyl)-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo(2,3-c)pyridin-1-yl)methyl dihydrogen phosphate;1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-((phosphonooxy)methyl)-1H-pyrrolo(2,3-c)pyridin-3-yl)-;BMS-663068;fostemsavir

Chemical Property of Fostemsavir

Chemical Property:

• Boiling Point: 904.1±75.0 °C(Predicted)
• PKA: 1.39±0.10(Predicted)
• PSA: 192.02000
• Density: 1.60±0.1 g/cm3(Predicted)
• LogP: 1.04390
• Solubility.: Soluble in DMSO
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 583.15804781
• Heavy Atom Count: 41
• Complexity: 1020

Purity/Quality:

97% ^*data from raw suppliers

Fostemsavir(BMS-663068) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Drug Classes: Antiviral Agents
• Canonical 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
• Recent ClinicalTrials: Attachment Inhibitor Comparison in Heavily Treatment Experienced Patients
• Recent EU Clinical Trials: A multicenter, open-label, single-arm trial to evaluate the safety, pharmacokinetics and antiviral activity of fostemsavir in combination with optimized background therapy (OBT) in HIV-1 infected children and adolescents who are failing their current combination antiretroviral therapy (cART) and have dual- or triple-class antiretroviral (ARV) resistance

Technology Process of Fostemsavir

There total 1 articles about Fostemsavir which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

(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 di-tert-butyl phosphate → fostemsavir (864953-29-7)

Guidance literature:

With water; In acetone; at 40 ℃; for 14 - 24h;

Reference yield: 51.0%

fostemsavir (864953-29-7) + 2-amino-2-hydroxymethyl-1,3-propanediol (77-86-1) → 1-benzoyl-4-[2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-piperazine di-tris salt (864953-39-9)

Guidance literature:

In water; pH=1.02 - 7.32;

Reference yield:

fostemsavir (864953-29-7) + ethanol (64-17-5) → 1-benzoyl-4-[2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-piperazine disodium salt hemiethanolate octahydrate

Guidance literature:

fostemsavir; With sodium hydroxide; water; In isopropyl alcohol; at 20 - 35 ℃; for 1h; pH=6.5;

ethanol; at 20 - 55 ℃; for 1h;

Downstream raw materials:

1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium (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 hydrogen phosphate

1-benzoyl-4-[2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-piperazine di-tris salt