CB-839

Base Information

• Chemical Name: CB-839
• CAS No.: 1439399-58-2
• Molecular Formula: C26H24F3N7O3S
• Molecular Weight: 571.583
• Mol file: 1439399-58-2.mol

Synonyms:CB-839;CPD1593;CS-1813;Telaglenastat;CB-839,TELAGLENASTAT;CB839 ;CB 839 ;CB-839;Telaglenastat (CB-839);GLS1 Inhibitor III, CB-839 - CAS 1439399-58-2 - Calbiochem;N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridazinyl]butyl]-1,3,4-thiadiazol-2-yl]-2-pyridineacetamide;2-Pyridineacetamide, N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridazinyl]butyl]-1,3,4-thiadiazol-2-yl]-

Chemical Property of CB-839

Chemical Property:

• PKA: 8.25±0.50(Predicted)
• PSA: 160.12000
• Density: 1.430±0.06 g/cm3(Predicted)
• LogP: 4.69550
• Storage Temp.: +2C to +8C
• Solubility.: Soluble in DMSO.

Purity/Quality:

99%, ^*data from raw suppliers

CB-839 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: CB-839 is a potent, selective, and orally bioavailable glutaminase inhibitor with IC50 of 24 nM for recombinant human GAC. Phase 1. CB-839 (14393999-58-2)?is a potent (IC50?= 24 nM), selective and orally bioavailable inhibitor of glutaminase (KGA and GAC).1?CB-839 displayed an antiproliferative effect in the triple-negative breast cancer cell line, HCC-1806, but no activity in the estrogen receptor-positive cell line T47D.? CB-839 was able to cause proliferation arrest and apoptosis in acute myeloid leukemia cells without causing cytotoxicity against normal human CD34(+) progenitors.2? Aspartate-glutamate carrier 1 (AGC1) inhibition can synergize with CB-839 to limit tumor growth.3
• Uses: CB-839 performs an antileukemic activity. It Inhibits GLS1 genes and reduces oxidative phosphorylation leading to leukamic cell proliferation arrest and apoptosis.

Technology Process of CB-839

There total 5 articles about CB-839 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: 76.0%

2-pyridineacetic acid (13115-43-0) + N-(6-(4-(5-amino-1,3,4-thiadiazol-2-yl)butyl)pyridazin-3-yl)-2-(3-(trifluoromethoxy)phenyl)acetamide (1439399-45-7) → 2-(pyridin-2-yl)-N-(5-(4-(6-(2-(3-(3-)(trifluoromethoxy)phenyl)acetamido)pyridazin-3-yl)butyl)-1,3,4-thiadiazol-2-yl)acetamide (1439399-58-2)

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In N,N-dimethyl acetamide; ethyl acetate; at 20.1 - 26.1 ℃; for 4h;

Reference yield:

N-(6-(4-(5-amino-1,3,4-thiadiazol-2-yl)butyl)pyridazin-3-yl)-2-(3-(trifluoromethoxy)phenyl)acetamide (1439399-45-7) + pyridin-2-yl acetic acid hydrochloride (16179-97-8) → 2-(pyridin-2-yl)-N-(5-(4-(6-(2-(3-(3-)(trifluoromethoxy)phenyl)acetamido)pyridazin-3-yl)butyl)-1,3,4-thiadiazol-2-yl)acetamide (1439399-58-2)

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h;

Reference yield:

2-(3-(trifluoromethoxy)phenyl)acetic acid (203302-97-0) → 2-(pyridin-2-yl)-N-(5-(4-(6-(2-(3-(3-)(trifluoromethoxy)phenyl)acetamido)pyridazin-3-yl)butyl)-1,3,4-thiadiazol-2-yl)acetamide (1439399-58-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 3 h / 30 °C

2: 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) / tetrahydrofuran / 4 h / 20 °C / Inert atmosphere

3: trifluoroacetic acid / 5 h / 65 °C

4: 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine / N,N-dimethyl-formamide / 1 h / 0 - 20 °C

With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; N,N-dimethyl-formamide;

upstream raw materials:

N-(6-(4-(5-amino-1,3,4-thiadiazol-2-yl)butyl)pyridazin-3-yl)-2-(3-(trifluoromethoxy)phenyl)acetamide

pyridin-2-yl acetic acid hydrochloride

2-(3-(trifluoromethoxy)phenyl)acetic acid

N-(6-chloropyridazin-3-yl)-2-(3-(trifluoromethoxy)phenyl)acetamide

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