ChemSpider 2D Image | Brilanestrant | C26H20ClFN2O2

Brilanestrant

  • Molecular FormulaC26H20ClFN2O2
  • Average mass446.901 Da
  • Monoisotopic mass446.119720 Da
  • ChemSpider ID35308225
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-{4-[(1E)-2-(2-Chlor-4-fluorphenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{4-[(1E)-2-(2-Chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl}acrylic acid [ACD/IUPAC Name]
10283
1365888-06-7 [RN]
2-Propenoic acid, 3-[4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl]-, (2E)- [ACD/Index Name]
9MM2R1A06R
Acide (2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophényl)-1-(1H-indazol-5-yl)-1-butén-1-yl]phényl}acrylique [French] [ACD/IUPAC Name]
brilanestrant [French] [INN]
brilanestrant [Spanish] [INN]
Brilanestrant [INN] [USAN]
More...

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

ARN-810 [DBID]
GDC-0810 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Estrogen Receptor/ERR MedChem Express HY-12864
      GDC-0810 (ARN-810) is an orally bioavailable selective estrogen receptor degrader (SERD) with IC50 of 0.7 nM. MedChem Express http://www.medchemexpress.com/PI3K-IN-2.html, HY-12864
      GDC-0810 (ARN-810) is an orally bioavailable selective estrogen receptor degrader (SERD) with IC50 of 0.7 nM. ;IC50: 0.7 nM;Target: Estrogen Receptor;In vitro: GDC-0810 a promising new anti-estrogen, appears to be a pure antagonist. GDC-0810 demonstrates robust activity in models of tamoxifen-sensitive and tamoxifen-resistant breast cancer, and is currently in clinical trials in women with locally advanced or metastatic estrogen receptor-positive breast cancer.[1];In vivo: GDC-0810 is a prospectively designed drug optimized for ER antagonism and degradation, non-steroidal and orally bioavailable, which induces tumor regression in tamoxifen-sensitive and resistant ER-positive breast cancer xenograft models. Importantly, the drug is active in both wild-type and mutant ER tumors.[2] MedChem Express HY-12864
      Others MedChem Express HY-12864

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.4±31.5 °C
Index of Refraction: 1.690
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 7776.58
ACD/KOC (pH 5.5): 10675.68
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 122.64
ACD/KOC (pH 7.4): 168.35
Polar Surface Area: 66 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 332.9±3.0 cm3

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