1-((5-Iodonaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride

Base Information

• Chemical Name: 1-((5-Iodonaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride
• CAS No.: 110448-33-4
• Molecular Formula: C15H17IN2O2S^.HCl
• Molecular Weight: 452.74
• NSC Number: 734550
• DSSTox Substance ID: DTXSID201018022
• ChEMBL ID: CHEMBL1407012
• Mol file: 110448-33-4.mol

Synonyms:1-(5-iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride;5-iodonaphthalene-1-sulfonyl homopiperazine;ML 7;ML-7;ML7 compound

Chemical Property of 1-((5-Iodonaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 246-249 °C
• Boiling Point: 542.7 °C at 760 mmHg
• Flash Point: 282 °C
• PSA: 57.79000
• LogP: 4.57790
• Storage Temp.: −20°C
• Solubility.: insoluble in EtOH; ≥15.95 mg/mL in DMSO; ≥8.82 mg/mL in H2O with gentle warming and ultrasonic
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 451.98222
• Heavy Atom Count: 22
• Complexity: 451

Purity/Quality:

98%,99%, ^*data from raw suppliers

ML 7 hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I.Cl
• Description: ML-7 inhibits smooth muscle myosin light chain kinase (MLCK) with a Ki value of 0.3 μM and displays reversible, ATP-competitive inhibition of Ca2+-calmodulin-dependent and -independent smooth muscle MLCKs. It exhibits a 10-fold more potent inhibition of MLCK than its parent compound ML-9 .
• Uses: ML-7 has been used as a myosin light chain kinase (MLCK) inhibitor in various experiments.