ChemSpider 2D Image | LX-7101 | C23H29N7O3

LX-7101

  • Molecular FormulaC23H29N7O3
  • Average mass451.522 Da
  • Monoisotopic mass451.233185 Da
  • ChemSpider ID35308210

More details:

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

1192189-69-7 [RN]
3-({[4-(Aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl}amino)phenyl dimethylcarbamate [ACD/IUPAC Name]
3-({[4-(Aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl}amino)phenyl-dimethylcarbamat [German] [ACD/IUPAC Name]
74B3C4ZT96
Carbamic acid, N,N-dimethyl-, 3-[[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl]amino]phenyl ester [ACD/Index Name]
Diméthylcarbamate de 3-({[4-(aminométhyl)-1-(5-méthyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-pipéridinyl]carbonyl}amino)phényle [French] [ACD/IUPAC Name]
LX-7101
2,2-dimethylchroman-6-carbaldehyde
3-(4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl dimethylcarbamate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3356433/
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-12659
      Cell Cycle/DNA Damage; TGF-beta/Smad; MedChem Express HY-12659
      LX-7101 is a potent inhibitor of LIMK1/2, ROCK2 and PKA, with IC50 of 24/1.6, 10, and <1 nM. MedChem Express
      LX-7101 is a potent inhibitor of LIMK1/2, ROCK2 and PKA, with IC50 of 24/1.6, 10, and <1 nM.; IC50 value: 24/1.6 nM (LIMK1/2), 10 nM (ROCK2), <1 nM (PKA); Target: LIMK1/2, ROCK2, PKA; in vitro: LX7101 is a dual LIM-kinase and ROCK inhibitor for the treatment of ocular hypertension and associated glaucoma. MedChem Express HY-12659
      LX-7101 is a potent inhibitor of LIMK1/2, ROCK2 and PKA, with IC50 of 24/1.6, 10, and <1 nM.;IC50 value: 24/1.6 nM (LIMK1/2), 10 nM (ROCK2), <1 nM (PKA);Target: LIMK1/2, ROCK2, PKA;In vitro: LX7101 is a dual LIM-kinase and ROCK inhibitor for the treatment of ocular hypertension and associated glaucoma. LX7101 is selected as a clinical candidate from this group based on superior efficacy in lowering intraocular pressure and a good safety profile. [2];In vivo: LX7101 significantly reduces intraocular pressure in both mouse and monkey models of ocular hypertension. MedChem Express HY-12659
      ROCK MedChem Express HY-12659

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 69.0±3.0 dyne/cm
Molar Volume: 340.0±3.0 cm3

Click to predict properties on the Chemicalize site


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