ChemSpider 2D Image | KPT-185 | C16H16F3N3O3

KPT-185

  • Molecular FormulaC16H16F3N3O3
  • Average mass355.312 Da
  • Monoisotopic mass355.114380 Da
  • ChemSpider ID30646714

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-{3-[3-Méthoxy-5-(trifluorométhyl)phényl]-1H-1,2,4-triazol-1-yl}acrylate d'isopropyle [French] [ACD/IUPAC Name]
1333151-73-7 [RN]
2-Propenoic acid, 3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-, 1-methylethyl ester, (2Z)- [ACD/Index Name]
Isopropyl (2Z)-3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}acrylate [ACD/IUPAC Name]
Isopropyl-(2Z)-3-{3-[3-methoxy-5-(trifluormethyl)phenyl]-1H-1,2,4-triazol-1-yl}acrylat [German] [ACD/IUPAC Name]
KPT-185
(4-methoxyphenyl)methyl 3,3-dimethyl-4-oxo-6-[(2-phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;Penicillin G sulfoxide p-methoxybenzyl ester
(Z)-isopropyl 3-(3-(3-methoxy-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate
[1333151-73-7] [RN]
3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-2Z-propenoic acid, 1-methylethyl ester
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15611
      Cell Cycle/DNA Damage; MedChem Express HY-15611
      CRM1 MedChem Express HY-15611
      KPT-185 is an orally bioavailable selective inhibitor of CRM1 amd displayes potent antiproliferative properties at submicromolar concentrations (IC50 values:100-500nM), induced apoptosis (average 5-fold increase), cell-cycle arrest, and myeloid differentiation in AML cell lines and patient blasts.; IC50 value: 100-500 nM (AML cell lines) [1]; Target: CRM1; in vitro: Submicromolar concentrations of KPT-185 inhibited leukemia cell proliferation, with IC50 values ranging from 100nM to 500nM (MV4-11, Kasumi-1, OCI/AML3, MOLM-13, KG1a, and THP-1). MedChem Express HY-15611
      KPT-185 is an orally bioavailable selective inhibitor of CRM1 amd displayes potent antiproliferative properties at submicromolar concentrations (IC50 values:100-500nM), induced apoptosis (average 5-fold increase), cell-cycle arrest, and myeloid differentiation in AML cell lines and patient blasts.;IC50 value: 100-500 nM (AML cell lines) [1];Target: CRM1;In vitro: Submicromolar concentrations of KPT-185 inhibited leukemia cell proliferation, with IC50 values ranging from 100nM to 500nM (MV4-11, Kasumi-1, OCI/AML3, MOLM-13, KG1a, and THP-1). KPT-185 at the predetermined IC50 value induced cell-cycle arrest at G1 with respect to vehicle-treated-control (DMSO) in MV4-11 (82.2% ? 3.69% vs 71.55% ? 0.21%, P < .01), OCI/AML3 (83.05% ? 6.84% vs 55.1% ? 2.26%, P < .01), and MOLM-13 (82.72% ? 1.14% vs 57.55 ? 3.46%, P < .01) cells at 24 hours. A significant accumulation of p53 in the nucleus of MV4-11 and OCI-AML3 was observed after treatment with KPT-185 [1]. KPT-185 also induced CRM1 accum MedChem Express HY-15611

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

Density: 1.3±0.1 g/cm3
Boiling Point: 458.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.3±31.5 °C
Index of Refraction: 1.526
Molar Refractivity: 84.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 207.09
ACD/KOC (pH 5.5): 1583.14
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 207.10
ACD/KOC (pH 7.4): 1583.15
Polar Surface Area: 66 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 35.8±7.0 dyne/cm
Molar Volume: 275.1±7.0 cm3

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