ChemSpider 2D Image | URMC-099 | C27H27N5

URMC-099

  • Molecular FormulaC27H27N5
  • Average mass421.537 Da
  • Monoisotopic mass421.226654 Da
  • ChemSpider ID30837535

More details:

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

1229582-33-5 [RN]
1H-Pyrrolo[2,3-b]pyridine, 3-(1H-indol-5-yl)-5-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]- [ACD/Index Name]
3-(1H-Indol-5-yl)-5-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin [German] [ACD/IUPAC Name]
3-(1H-Indol-5-yl)-5-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridine [ACD/IUPAC Name]
3-(1H-Indol-5-yl)-5-{4-[(4-méthyl-1-pipérazinyl)méthyl]phényl}-1H-pyrrolo[2,3-b]pyridine [French] [ACD/IUPAC Name]
5-(5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indole
URMC-099
(R)-4-Benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate
[1229582-33-5] [RN]
3-(1H-indol-5-yl)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridine
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      MAPK MedChem Express HY-12599
      MAPK; MedChem Express HY-12599
      Mixed lineage kinase MedChem Express HY-12599
      URMC-099 is an orally bioavailable, brain penetrant inhibitor of Mixed Lineage Kinase 3(MLK3) with IC50 of 14 nM; inhibits LPS-induced TNF? release in microglial cells, HIV-1 Tat-induced release of cytokines in human monocytes, and up-regulation of phospho-JNK in Tat-injected brains of mice.; IC50 value: 14 nM [1]; Target: MLK3 inhibitor; in vitro: URMC-099 shows excellent brain exposure in mouse PK models and minimal interference with key human CYP450 enzymes or hERG channels. MedChem Express HY-12599

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: 1.711
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 15.80
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 121.91
ACD/KOC (pH 7.4): 815.33
Polar Surface Area: 51 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 335.5±3.0 cm3

Click to predict properties on the Chemicalize site


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