ChemSpider 2D Image | PHA665752 | C32H34Cl2N4O4S

PHA665752

  • Molecular FormulaC32H34Cl2N4O4S
  • Average mass641.608 Da
  • Monoisotopic mass640.167786 Da
  • ChemSpider ID8637227

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3Z)-5-[(2,6-Dichlorbenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)methylen]-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3Z)-5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)methylene]-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3Z)-5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-diméthyl-4-{[(2R)-2-(1-pyrrolidinylméthyl)-1-pyrrolidinyl]carbonyl}-1H-pyrrol-2-yl)méthylène]-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
(3Z)-5-[(2,6-Dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylene]-1,3-dihydro-2H-indol-2-one
(3Z)-5-[(2,6-dichlorophenyl)methanesulfonyl]-3-({3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl}methylidene)-1H-indol-2-one
(3Z)-5-[(2,6-dichlorophenyl)methanesulfonyl]-3-({3,5-dimethyl-4-[(2R)-2-[(pyrrolidin-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl}methylidene)-2,3-dihydro-1H-indol-2-one
(3Z)-5-[[(2,6-dichlorophenyl)methyl]sulfonyl]-3-[[3,5-dimethyl-4-[[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrrol-2-yl]methylene]-1,3-dihydro-2H-indol-2-one
2H-Indol-2-one, 5-[[(2,6-dichlorophenyl)methyl]sulfonyl]-3-[[3,5-dimethyl-4-[[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrrol-2-yl]methylene]-1,3-dihydro-, (3Z)- [ACD/Index Name]
477575-56-7 [RN]
5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[oxo-[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
More...

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

0VXU5T5R3J [DBID]
PHA-665752 [DBID]
UNII:0VXU5T5R3J [DBID]
UNII-0VXU5T5R3J [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 2693

    • Chemical Class:

      A member of the class of indolones that is 1,3-dihydro-2<element>H</element>-indol-2-one which is substituted by a (2,6-dichlorobenzyl)sulfonyl group at position 5 and by a (1<element>H</element>-pyrr ol-2-yl)methylidene group at position 2, the pyrrole ring of which is substituted by methyl groups at positions 3 and 5, and by a [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl group at position 4 (the <stereo>Z</stereo>,<stereo>R</stereo> isomer). ChEBI CHEBI:90197
      A member of the class of indolones that is 1,3-dihydro-2H-indol-2-one which is substituted by a (2,6-dichlorobenzyl)sulfonyl group at position 5 and by a (1H-pyrr; ol-2-yl)methylidene group at positio n 2, the pyrrole ring of which is substituted by methyl groups at positions 3 and 5, and by a [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl group at position 4 (the Z,R isomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90197
      A member of the class of indolones that is 1,3-dihydro-2H-indol-2-one which is substituted by a (2,6-dichlorobenzyl)sulfonyl group at position 5 and by a (1H-pyrrol-2-yl)methylidene group at position 2, the pyrrole ring of which is substituted by methyl groups at positions 3 and 5, and by a [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl group at position 4 (the Z,R isomer). ChEBI CHEBI:90197

    • Bio Activity:

      c-Met/HGFR MedChem Express HY-11107
      Enzyme-Linked Receptors Tocris Bioscience 2693
      MET Receptors Tocris Bioscience 2693
      PHA-665752 is a potent, selective and ATP-competitive c-Met inhibitor with IC50 of 9 nM, MedChem Express http://www.medchemexpress.com/TAK-242.html
      PHA-665752 is a potent, selective and ATP-competitive c-Met inhibitor with IC50 of 9 nM, >50-fold selectivity for c-Met than RTKs or STKs.; IC50 value: 9 nM; Target: c-Met; in vitro: PHA-665752 significantly inhibits c-Met kinase activity with Ki of 4 nM, and exhibits >50-fold selectivity for c-Met compared with various tyrosine and serine-threonine kinases. MedChem Express HY-11107
      Potent and selective MET inhibitor Tocris Bioscience 2693
      Potent, selective and ATP-competitive inhibitor of MET kinase (IC50 values are 9, 68, 200, 1400, 3000, 3800 and 6000 nM for MET, Ron, Flk-1, c-abl, FGFR1, EGFR and c-src respectively and > 10000 nM fo r IGF-IR, PDGFR, AURORA2, PKA, PKB?, p38?, MK2 and MK3). Antitumor agent; inhibits tumorigenicity and angiogenesis in mouse lung cancer xenografts. Tocris Bioscience 2693
      Potent, selective and ATP-competitive inhibitor of MET kinase (IC50 values are 9, 68, 200, 1400, 3000, 3800 and 6000 nM for MET, Ron, Flk-1, c-abl, FGFR1, EGFR and c-src respectively and > 10000 nM for IGF-IR, PDGFR, AURORA2, PKA, PKB?, p38?, MK2 and MK3). Antitumor agent; inhibits tumorigenicity and angiogenesis in mouse lung cancer xenografts. Tocris Bioscience 2693
      Potent, selective and ATP-competitive inhibitor of MET kinase (IC50 values are 9, 68, 200, 1400, 3000, 3800 and 6000 nM for MET, Ron, Flk-1, c-abl, FGFR1, EGFR and c-src respectively and > 10000 nM for IGF-IR, PDGFR, AURORA2, PKA, PKBalpha, p38alpha, MK2 and MK3). Antitumor agent; inhibits tumorigenicity and angiogenesis in mouse lung cancer xenografts. Tocris Bioscience 2693
      Protein Tyrosine Kinase/RTK MedChem Express HY-11107
      Protein Tyrosine Kinase/RTK; MedChem Express HY-11107
      Receptor Tyrosine Kinases (RTKs) Tocris Bioscience 2693

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

Density: 1.4±0.1 g/cm3
Boiling Point: 890.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 492.2±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 167.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 8.43
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 36.26
ACD/KOC (pH 7.4): 142.75
Polar Surface Area: 111 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 456.9±3.0 cm3

Click to predict properties on the Chemicalize site


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