1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine

Base Information

• Chemical Name: 1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine
• CAS No.: 459168-41-3
• Molecular Formula: C14H16ClN3O
• Molecular Weight: 277.75
• European Community (EC) Number: 636-930-4
• UNII: 4H1AU2V37X
• ChEMBL ID: CHEMBL129198
• DSSTox Substance ID: DTXSID20963461
• Nikkaji Number: J2.519.163C
• Pharos Ligand ID: Z129SH6J4HPY
• Wikidata: Q6108577
• Wikipedia: JNJ-7777120
• Mol file: 459168-41-3.mol

Synonyms:1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine;JNJ 7777120;JNJ7777120

Chemical Property of 1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine

Chemical Property:

• Vapor Pressure: 2.9E-09mmHg at 25°C
• Refractive Index: 1.655
• Boiling Point: 477 °C at 760 mmHg
• PKA: 15.20±0.30(Predicted)
• Flash Point: 242.3 °C
• PSA: 39.34000
• Density: 1.322 g/cm³
• LogP: 2.08470
• Storage Temp.: Store at +4°C
• Solubility.: H2O: insoluble
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 277.0981898
• Heavy Atom Count: 19
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

JNJ7777120 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl
• Uses: JNJ7777120 is a histamine 4 receptor (H4R) antagonist on CCL17 and CCL22 chemokine production by human monocyte-derived Langerhans cells in patients with atopic dermatitis. JNJ7777120 has been used as a histamine-4 receptor antagonist:to study its effects on the pro-inflammatory microglia in ratsto study its effects on the Parkinson′s-like pathology in rat brainto study its effects on the histamine receptor interaction in periodontal ligament fibroblasts (PDLF)