ChemSpider 2D Image | Telotristat ethyl | C27H26ClF3N6O3

Telotristat ethyl

  • Molecular FormulaC27H26ClF3N6O3
  • Average mass574.982 Da
  • Monoisotopic mass574.170715 Da
  • ChemSpider ID28189674
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1033805-22-9 [RN]
4-(2-Amino-6-{(1R)-1-[4-chloro-2-(3-méthyl-1H-pyrazol-1-yl)phényl]-2,2,2-trifluoroéthoxy}-4-pyrimidinyl)-L-phénylalaninate d'éthyle [French] [ACD/IUPAC Name]
8G388563M7
Ethyl 4-(2-amino-6-{(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy}-4-pyrimidinyl)-L-phenylalaninate [ACD/IUPAC Name]
Ethyl-4-(2-amino-6-{(1R)-1-[4-chlor-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluorethoxy}-4-pyrimidinyl)-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, 4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-, ethyl ester [ACD/Index Name]
Telotristat ethyl [USAN]
Xermelo [Trade name]
(2S)-2-Amino-3-[4-[2-amino-6-[[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethyl]oxy]pyrimidin-4-yl]phenyl]propionic acid ethyl ester
(S)-ethyl 2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LX 1606 [DBID]
LX1606 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      LX1606 is an orally bioavailable, small-molecule, tryptophan hydroxylase (TPH) inhibitor with potential antiserotonergic activity. MedChem Express http://www.medchemexpress.com/ADX-47273.html, HY-13055A
      LX1606 is an orally bioavailable, small-molecule, tryptophan hydroxylase (TPH) inhibitor with potential antiserotonergic activity. ;IC50 Value: ;Target: Tryptophan hydroxylase;In vitro: ;In vivo: LX1606 (LX 1606, LX-1606) is useful for Neurological Diseas [1]. LX1606 were given orally to mice. LX1606 reduced 5-HT significantly in the gut and blood but not in the brain. oral LX1032 reduced the severity of TNBS-induced colitis; the expression of 24% of 84 genes encoding inflammation-related cytokines and chemokines was lowered at least fourfold and the reduced expression of 17% was statistically significant [2]. Treatment with LX1606 showed a strong positive effect in ameliorating TNBS-induced IBD in mice as assessed by various parameters of disease development. These preclinical data demonstrate that inhibition of TPH activity by LX1606 may provide a new approach for the treatment of IBD and its serotonin-mediated symptoms[3]. MedChem Express HY-13055A
      Metabolism/Protease MedChem Express HY-13055A
      Metabolism/Protease; MedChem Express HY-13055A
      Tryptophan Hydroxylase MedChem Express HY-13055A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 704.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 380.0±35.7 °C
Index of Refraction: 1.621
Molar Refractivity: 141.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 195.74
ACD/KOC (pH 5.5): 724.79
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2289.85
ACD/KOC (pH 7.4): 8478.72
Polar Surface Area: 131 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 402.8±7.0 cm3

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