Temsavir

Base Information

Chemical Name:Temsavir
CAS No.:701213-36-7
Molecular Formula:C24H23N7O4
Molecular Weight:473.491
Hs Code.:
UNII:4B6J53W8N3
ChEMBL ID:CHEMBL3301620
DSSTox Substance ID:DTXSID20462146
Metabolomics Workbench ID:144575
NCI Thesaurus Code:C152553
Nikkaji Number:J3.318.366F
Wikidata:Q27259369
Mol file:701213-36-7.mol

Synonyms:BMS-626529

Suppliers and Price of Temsavir

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Temsavir
50mg
$ 65.00

DC Chemicals
Temsavir（BMS-626529） >98%
1 g
$ 2200.00

DC Chemicals
Temsavir（BMS-626529） >98%
250 mg
$ 1200.00

DC Chemicals
Temsavir（BMS-626529） >98%
100 mg
$ 700.00

Crysdot
BMS-626529 98+%
100mg
$ 865.00

Crysdot
BMS-626529 98+%
5mg
$ 149.00

Crysdot
BMS-626529 98+%
10mg
$ 245.00

Crysdot
BMS-626529 98+%
50mg
$ 683.00

ChemScene
Temsavir 99.46%
5mg
$ 180.00

ChemScene
Temsavir 99.46%
10mg
$ 300.00

Total 32 raw suppliers

Chemical Property of Temsavir

Chemical Property:

Boiling Point:787.6±70.0 °C(Predicted)
PKA:10.92±0.40(Predicted)
PSA：126.31000
Density:1.46±0.1 g/cm3(Predicted)
LogP:1.50370
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:473.18115224
Heavy Atom Count:35
Complexity:799

Purity/Quality:

99%, ^*data from raw suppliers

Temsavir ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC
Recent ClinicalTrials:Absolute Bioavailability of BMS-626529 After Oral and Intravenous Dosing
Description BMS 626529 is an inhibitor of HIV-1 attachment. It binds to non-ligand bound HIV-1 gp120 to inhibit HIV-1 interaction with host CD4+ T cells and subsequent HIV-1 binding and cell entry. BMS 626529 reduces infectivity of laboratory strains and clinical isolates of HIV-1 (EC50s = 0.4-2,000 and 25-2,000 nM, respectively) with cytotoxic concentration (CC50) values greater than 100 μM in a panel of mammalian cell lines.
Uses Temsavir is a Fostemsavir (CAS# 864953-29-7) intermediate and an antiviral agent. It is an HIV-1 attachment inhibitor.

Technology Process of Temsavir

There total 23 articles about Temsavir 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: 82.6%

: 701214-00-8
methyl 2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate

: 56227-55-5,79332-89-1
N-benzoylpiperazine hydrochloride

: 701213-36-7
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-ethane-1,2-dione

Guidance literature:: With sodium t-butanolate; In tetrahydrofuran; N,N-dimethyl-formamide; at 17 - 20 ℃; for 1h;

Reference yield: 77.5%

: 7170-01-6
3-methyl-1H-[1,2,4]triazole

: C₂₂H₁₉F₃N₄O₇S

: 701213-36-7
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-ethane-1,2-dione

Guidance literature:: With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In toluene; for 4h; Reflux;

Reference yield: 68.0%

: 2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid sodium salt

: 56227-55-5,79332-89-1
N-benzoylpiperazine hydrochloride

: 701213-36-7
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-ethane-1,2-dione

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20 - 40 ℃; for 24h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.8b00759