ChemSpider 2D Image | ABT 737 | C42H45ClN6O5S2

ABT 737

  • Molecular FormulaC42H45ClN6O5S2
  • Average mass813.427 Da
  • Monoisotopic mass812.258118 Da
  • ChemSpider ID9403232
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-[4-[(4'-Chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]benzamide
4-{4-[(4'-Chlor-2-biphenylyl)methyl]-1-piperazinyl}-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]benzamid [German] [ACD/IUPAC Name]
4-{4-[(4'-Chloro-2-biphenylyl)methyl]-1-piperazinyl}-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]benzamide [ACD/IUPAC Name]
4-{4-[(4'-Chloro-2-biphénylyl)méthyl]-1-pipérazinyl}-N-[(4-{[(2R)-4-(diméthylamino)-1-(phénylsulfanyl)-2-butanyl]amino}-3-nitrophényl)sulfonyl]benzamide [French] [ACD/IUPAC Name]
852808-04-9 [RN]
ABT 737
ABT-737
Benzamide, 4-[4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]- [ACD/Index Name]
Z5NFR173NV
(R)-4-(4-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-(dimethylamino)-1-(phenylthio)butan-2-yl)amino)-3-nitrophenyl)sulfonyl)benzamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 094361
    • Bio Activity:

      ABT-737 is a BH3 mimetic inhibitor of Bcl-xL, Bcl-2 and Bcl-w with EC50 of 78.7 nM, 30.3 nM and 197.8 nM, respectively; no inhibition observed against Mcl-1, Bcl-B or Bfl-1. MedChem Express
      ABT-737 is a BH3 mimetic inhibitor of Bcl-xL, Bcl-2 and Bcl-w with EC50 of 78.7 nM, 30.3 nM and 197.8 nM, respectively; no inhibition observed against Mcl-1, Bcl-B or Bfl-1.; IC50 Value: 78.7 nM(Bcl-xL); 30.3 nM(Bcl-2); 197.8 nM(Bcl-w); Target: Bcl-2 Family; in vitro: ABT-737 displaces Bim from Bcl2's BH3-binding pocket, allowing Bim to activate Bax, induce mitochondrial permeabilization, and rapidly commit the primary chronic lymphocytic leukemia (CLL) cells to death. MedChem Express HY-50907
      ABT-737 is a BH3 mimetic inhibitor of Bcl-xL, Bcl-2 and Bcl-w with EC50 of 78.7 nM, 30.3 nM and 197.8 nM, respectively; no inhibition observed against Mcl-1, Bcl-B or Bfl-1.;IC50 Value: 78.7 nM(Bcl-xL); 30.3 nM(Bcl-2); 197.8 nM(Bcl-w);Target: Bcl-2 Family;In vitro: ABT-737 displaces Bim from Bcl2's BH3-binding pocket, allowing Bim to activate Bax, induce mitochondrial permeabilization, and rapidly commit the primary chronic lymphocytic leukemia (CLL) cells to death. Knockdown of Mcl-1 with siRNA sensitizes two resistant SCLC cell lines H196 and DMS114 to ABT-737 by enhancing the induction of apoptosis. Likewise, up-regulation of Noxa sensitizes H196 cells to ABT-737. ABT-737 inhibits many SCLC cell lines including NCI-H889, NCI-H1963, NCI-H1417, NCI-H146 and etc. Bcl-2 and Noxa may contribute mechanistically to the cellular response to ABT-737 in NCI-H146 cells. A recent study shows that ABT-737 significantly induces apoptosis in HTLV-1 infected T-cell lines as well as in fresh AT MedChem Express HY-50907
      Apoptosis MedChem Express HY-50907
      Apoptosis; MedChem Express HY-50907
      Bcl-2 Family MedChem Express HY-50907

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 225.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 9.21
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 717.90
ACD/KOC (pH 5.5): 556.37
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 2067.65
ACD/KOC (pH 7.4): 1602.42
Polar Surface Area: 164 Å2
Polarizability: 89.5±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 585.5±5.0 cm3

Click to predict properties on the Chemicalize site






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