ChemSpider 2D Image | verdinexor | C18H12F6N6O

verdinexor

  • Molecular FormulaC18H12F6N6O
  • Average mass442.318 Da
  • Monoisotopic mass442.097687 Da
  • ChemSpider ID32698465
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-3-{3-[3,5-Bis(trifluormethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(2-pyridinyl)acrylohydrazid [German] [ACD/IUPAC Name]
(2Z)-3-{3-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(2-pyridinyl)acrylohydrazide [ACD/IUPAC Name]
(2Z)-3-{3-[3,5-Bis(trifluorométhyl)phényl]-1H-1,2,4-triazol-1-yl}-N'-(2-pyridinyl)acrylohydrazide [French] [ACD/IUPAC Name]
1392136-43-4 [RN]
2-Propenoic acid, 3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-, 2-(2-pyridinyl)hydrazide, (2Z)- [ACD/Index Name]
85Q03215IW
9873
verdinexor [INN] [USAN]
verdinexor [Spanish] [INN]
verdinexor [French] [INN]
More...

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

KPT-335 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2597
      H303;H313;H317;H333;H334;H335;H383 Axon Medchem 2597
      no pictogram Axon Medchem 2597
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P350 Axon Medchem 2597
      Warning Axon Medchem 2597
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15970
      Cell Cycle/DNA Damage; MedChem Express HY-15970
      CRM1 MedChem Express HY-15970
      Verdinexor(KPT-335) is a novel, orally bioavailable selective inhibitor of nuclear export (SINE), inhibits nuclear export protein Exportin 1(XPO1/CRM1) against canine tumor cell lines; also reduce influenza virus replication in vitro and in vivo.; IC50 value:; Target: SINE; XPO1/CRM1; in vitro: potently and selectively inhibit vRNP export and effectively inhibited the replication of various influenza virus A and B strains in vitro, including pandemic H1N1 virus, highly pathogenic H5N1 avian influenza virus, and the recently emerged H7N9 strain [1]. MedChem Express HY-15970
      Verdinexor(KPT-335) is a novel, orally bioavailable selective inhibitor of nuclear export (SINE), inhibits nuclear export protein Exportin 1(XPO1/CRM1) against canine tumor cell lines; also reduce influenza virus replication in vitro and in vivo.;IC50 value:;Target: SINE; XPO1/CRM1;In vitro: potently and selectively inhibit vRNP export and effectively inhibited the replication of various influenza virus A and B strains in vitro, including pandemic H1N1 virus, highly pathogenic H5N1 avian influenza virus, and the recently emerged H7N9 strain [1]. KPT-335 inhibited proliferation, blocked colony formation, and induced apoptosis of treated cells at biologically relevant concentrations of drug. Additionally, KPT-335 downregulated XPO1 protein while inducing a concomitant increase in XPO1 messenger RNA. Lastly, KPT-335 treatment of cell lines upregulated the expression of both protein and mRNA for the tumor suppressor proteins p53 and p21, and promoted their nuclear localization [3].;In MedChem Express HY-15970

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.577
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 98.54
ACD/KOC (pH 5.5): 858.68
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 129.99
ACD/KOC (pH 7.4): 1132.77
Polar Surface Area: 85 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 296.4±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement