ChemSpider 2D Image | NBI-74330 | C32H27F4N5O3

NBI-74330

  • Molecular FormulaC32H27F4N5O3
  • Average mass605.582 Da
  • Monoisotopic mass605.205017 Da
  • ChemSpider ID8343219

More details:

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

Benzeneacetamide, N-[1-[3-(4-ethoxyphenyl)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-4-fluoro-N-(3-pyridinylmethyl)-3-(trifluoromethyl)- [ACD/Index Name]
N-{1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl}-2-[4-fluor-3-(trifluormethyl)phenyl]-N-(3-pyridinylmethyl)acetamid [German] [ACD/IUPAC Name]
N-{1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl}-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(3-pyridinylmethyl)acetamide [ACD/IUPAC Name]
N-{1-[3-(4-Éthoxyphényl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]éthyl}-2-[4-fluoro-3-(trifluorométhyl)phényl]-N-(3-pyridinylméthyl)acétamide [French] [ACD/IUPAC Name]
NBI-74330
(±)-NBI 74330
(��)-NBI 74330
(?)-NBI 74330
(±)-NBI 74330
(±)-NBI 74330
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
Goe 6983 | [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4528
      Chemokine CXC Receptors Tocris Bioscience 4528
      Chemokine Receptors Tocris Bioscience 4528
      Potent and selective CXCR3 antagonist Tocris Bioscience 4528
      Potent and selective CXCR3 antagonist; potently inhibits 125I-CXCL10 binding to CXCR3 (pKi = 8.13). Inhibits calcium mobilization in response to CXCL11 and CXCL10 in RBL cells. Exhibits no significant effect on chemotaxis induced by CXCR4 or CCR7. Displays a five-fold greater affinity for CXCR3 than (?)-AMG 487 (Cat. No. 4487). Tocris Bioscience 4528
      Potent and selective CXCR3 antagonist; potently inhibits 125I-CXCL10 binding to CXCR3 (pKi = 8.13). Inhibits calcium mobilization in response to CXCL11 and CXCL10 in RBL cells. Exhibits no significant effect on chemotaxis induced by CXCR4 or CCR7. Displays a five-fold greater affinity for CXCR3 than (+/-)-AMG 487 (Cat. No. 4487). Tocris Bioscience 4528
      Potent and selective CXCR3 antagonist; potently inhibits 125I-CXCL10 binding to CXCR3 (pKi = 8.13). Inhibits calcium mobilization in response to CXCL11 and CXCL10 in RBL cells. Exhibits no significant effect on chemotaxis induced by CXCR4 or CCR7. Displays a five-fold greater affinity for CXCR3 than (+/-)-AMG 487. This product is racemic. Tocris Bioscience 4528
      Potent and selective CXCR3 antagonist; potently inhibits 125I-CXCL10 binding to CXCR3 (pKi = 8.13). Inhibits calcium mobilization in response to CXCL11 and CXCL10 in RBL cells. Exhibits no significant effect on chemotaxis induced by CXCR4 or CCR7. Displays a five-fold greater affinity for CXCR3 than (±)-AMG 487 (Cat. No. 4487). Tocris Bioscience 4528

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

Density: 1.3±0.1 g/cm3
Boiling Point: 752.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 408.9±35.7 °C
Index of Refraction: 1.605
Molar Refractivity: 157.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 320.16
ACD/KOC (pH 5.5): 2126.79
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 339.20
ACD/KOC (pH 7.4): 2253.24
Polar Surface Area: 88 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 456.1±7.0 cm3

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