ChemSpider 2D Image | N-[2-({(3S,4S)-1-[trans-4-(1,3-Benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxy-3-pyrrolidinyl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide | C29H34F3N3O6

N-[2-({(3S,4S)-1-[trans-4-(1,3-Benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxy-3-pyrrolidinyl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide

  • Molecular FormulaC29H34F3N3O6
  • Average mass577.592 Da
  • Monoisotopic mass577.239990 Da
  • ChemSpider ID26369087
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Benzamide, N-[2-[[(3S,4S)-1-[trans-4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxy-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-[2-({(3S,4S)-1-[trans-4-(1,3-Benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxy-3-pyrrolidinyl}amino)-2-oxoethyl]-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[2-({(3S,4S)-1-[trans-4-(1,3-Benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxy-3-pyrrolidinyl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[2-({(3S,4S)-1-[trans-4-(1,3-Benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-éthoxy-3-pyrrolidinyl}amino)-2-oxoéthyl]-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
1262238-11-8 [RN]
INCB 3344
INCB 3344; INCB-3344
INCB3344
INCB-3344
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      CCR MedChem Express HY-50674
      GPCR/G protein MedChem Express HY-50674
      GPCR/G protein; Immunology/Inflammation; MedChem Express HY-50674
      INCB3344 is a novel, potent and selective small molecule antagonist of the mouse CCR2 receptor; inhibits the binding of CCL2 to mouse monocytes with nanomolar potency (IC50 = 10 nM). MedChem Express
      INCB3344 is a novel, potent and selective small molecule antagonist of the mouse CCR2 receptor; inhibits the binding of CCL2 to mouse monocytes with nanomolar potency (IC50 = 10 nM).; IC50 value: 10 nM [1]; Target: CCR2; In vitro: INCB3344 inhibits the binding of CCL2 to mouse monocytes with nanomolar potency (IC(50) = 10 nM) and displays dose-dependent inhibition of CCL2-mediated functional responses such as ERK phosphorylation and chemotaxis with similar potency. MedChem Express HY-50674
      INCB3344 is a novel, potent and selective small molecule antagonist of the mouse CCR2 receptor; inhibits the binding of CCL2 to mouse monocytes with nanomolar potency (IC50 = 10 nM).;IC50 value: 10 nM [1];Target: CCR2;In vitro: INCB3344 inhibits the binding of CCL2 to mouse monocytes with nanomolar potency (IC(50) = 10 nM) and displays dose-dependent inhibition of CCL2-mediated functional responses such as ERK phosphorylation and chemotaxis with similar potency. Against a panel of G protein-coupled receptors that includes other CC chemokine receptors, INCB3344 is at least 100-fold selective for CCR2 [1]. INCB3344 can also bind human CCR2 (hCCR2) with high affinity, having a dissociation constant (K(d)) of approximately 5nM. The binding of the compound to the receptor is rapid and reversible. INCB3344 potently inhibits hCCR2 binding of monocyte chemoattractant protein-1 (MCP-1) and MCP-1-induced signaling and function in hCCR2-expressing cells, including ERK phosphorylation and chem MedChem Express HY-50674

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 399.1±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.49
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 26.03
ACD/KOC (pH 7.4): 261.40
Polar Surface Area: 109 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 416.3±5.0 cm3

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