ChemSpider 2D Image | Telaglenastat | C26H24F3N7O3S

Telaglenastat

  • Molecular FormulaC26H24F3N7O3S
  • Average mass571.574 Da
  • Monoisotopic mass571.161316 Da
  • ChemSpider ID34959639

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1439399-58-2 [RN]
2-(2-Pyridinyl)-N-(5-{4-[6-({[3-(trifluormethoxy)phenyl]acetyl}amino)-3-pyridazinyl]butyl}-1,3,4-thiadiazol-2-yl)acetamid [German] [ACD/IUPAC Name]
2-(2-Pyridinyl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)-3-pyridazinyl]butyl}-1,3,4-thiadiazol-2-yl)acetamide [ACD/IUPAC Name]
2-(2-Pyridinyl)-N-(5-{4-[6-({2-[3-(trifluorométhoxy)phényl]acétyl}amino)-3-pyridazinyl]butyl}-1,3,4-thiadiazol-2-yl)acétamide [French] [ACD/IUPAC Name]
2-(pyridin-2-yl)-N-{5-[4-(6-{2-[3-(trifluoromethoxy)phenyl]acetamido}pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl}acetamide
2-Pyridineacetamide, N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridazinyl]butyl]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
CB-839
telaglenastat [Spanish] [INN]
Telaglenastat [INN]
télaglénastat [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

63J [DBID]
CB 839 [DBID]
CB839 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      CB-839 is a potent, selective, and orally bioavailable inhibitor of both splice variants of glutaminase (KGA and GAC); inhibits recombinant GAC with an IC50 of <15 nM. MedChem Express
      CB-839 is a potent, selective, and orally bioavailable inhibitor of both splice variants of glutaminase (KGA and GAC); inhibits recombinant GAC with an IC50 of <15 nM.; IC50 value: <15 nM(GAC) [1]; Target: glutaminase inhibitor; CB-839 had antiproliferative activity in a triple-negative breast cancer (TNBC) cell line, HCC-1806, that was associated with a marked decrease in glutamine consumption, glutamate production, oxygen consumption, and the steady-state levels of glutathione and several tricarboxylic acid cycle intermediates. MedChem Express HY-12248
      CB-839 is a potent, selective, and orally bioavailable inhibitor of both splice variants of glutaminase (KGA and GAC); inhibits recombinant GAC with an IC50 of <15 nM.;IC50 value: <15 nM(GAC) [1];Target: glutaminase inhibitorCB-839 had antiproliferative activity in a triple-negative breast cancer (TNBC) cell line, HCC-1806, that was associated with a marked decrease in glutamine consumption, glutamate production, oxygen consumption, and the steady-state levels of glutathione and several tricarboxylic acid cycle intermediates. CB-839 displayed significant antitumor activity in two xenograft models: as a single agent in a patient-derived TNBC model and in a basal like HER2(+) cell line model, JIMT-1, both as a single agent and in combination with paclitaxel [1]. MedChem Express HY-12248
      Others MedChem Express HY-12248

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 244.53
ACD/KOC (pH 5.5): 1748.67
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 228.75
ACD/KOC (pH 7.4): 1635.84
Polar Surface Area: 160 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 399.5±3.0 cm3

Click to predict properties on the Chemicalize site


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