ChemSpider 2D Image | Avatrombopag | C29H34Cl2N6O3S2

Avatrombopag

  • Molecular FormulaC29H34Cl2N6O3S2
  • Average mass649.655 Da
  • Monoisotopic mass648.151062 Da
  • ChemSpider ID8028230

More details:






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

Avatrombopag [INN] [USAN]
1-(3-Chlor-5-{[4-(4-chlor-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-1,3-thiazol-2-yl]carbamoyl}-2-pyridinyl)-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-(3-Chloro-5-{[4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-1,3-thiazol-2-yl]carbamoyl}-2-pyridinyl)-4-piperidinecarboxylic acid [ACD/IUPAC Name]
1-(3-chloro-5-{[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl]carbamoyl}pyridin-2-yl)piperidine-4-carboxylic acid
3H8GSZ4SQL
4-Piperidinecarboxylic acid, 1-[3-chloro-5-[[[4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl]amino]carbonyl]-2-pyridinyl]- [ACD/Index Name]
570406-98-3 [RN]
9571
Acide 1-(3-chloro-5-{[4-(4-chloro-2-thiényl)-5-(4-cyclohexyl-1-pipérazinyl)-1,3-thiazol-2-yl]carbamoyl}-2-pyridinyl)-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
Avatrombopag [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

E5501 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Avatrombopag(AKR-501; AS1670542) is a novel orally-active thrombopoietin(TPO) receptor agonist with EC50 of 3.3 nM. MedChem Express
      Avatrombopag(AKR-501; AS1670542) is a novel orally-active thrombopoietin(TPO) receptor agonist with EC50 of 3.3 nM.; EC50 value: 3.3 nM [1]; Target: TPO receptor agonist; in vitro: AKR-501 specifically targeted the TPO receptor and stimulated megakaryocytopoiesis throughout the development and maturation of megakaryocytes just as rhTPO did. MedChem Express HY-13463
      Avatrombopag(AKR-501; AS1670542) is a novel orally-active thrombopoietin(TPO) receptor agonist with EC50 of 3.3 nM.EC50 value: 3.3 nM [1];Target: TPO receptor agonist;In vitro: AKR-501 specifically targeted the TPO receptor and stimulated megakaryocytopoiesis throughout the development and maturation of megakaryocytes just as rhTPO did. AKR-501, however, was shown to be effective only in humans and chimpanzees with high species specificity [1]. AS1670542 has 50% effective concentration values for cell proliferation with AS1670542 or eltrombopag were 1.9 and 13nM, respectively, while those for megakaryocyte colony formation from human cord blood CD34(+) cells with AS1670542 or eltrombopag were 260 and 950nM, respectively [2].;In vivo: Daily oral administration of AKR-501 dose-dependently increased the number of human platelets in in human platelet producing non-obese diabetic/severe combined immunodeficiency (NOD/SCID) mice transplanted with human fetal liver CD34(+) cells, with s MedChem Express HY-13463
      Others MedChem Express HY-13463
      Thrombopoietin Receptor MedChem Express HY-13463

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: 1.671
Molar Refractivity: 168.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 36.41
ACD/KOC (pH 5.5): 89.71
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.73
Polar Surface Area: 158 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 450.8±3.0 cm3

Click to predict properties on the Chemicalize site






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