(Melle-4)cyclosporin

Base Information

• Chemical Name: (Melle-4)cyclosporin
• CAS No.: 143205-42-9
• Molecular Formula: C62H111 N11 O12
• Molecular Weight: 1202.61
• UNII: 96262S4I14
• DSSTox Substance ID: DTXSID70904006
• Nikkaji Number: J614.992H
• Wikipedia: NIM811
• Wikidata: Q6954330
• Metabolomics Workbench ID: 144435
• ChEMBL ID: CHEMBL1688529
• Mol file: 143205-42-9.mol

Synonyms:(melle-4)cyclosporin;9-(N-methyl-L-isoleucine)-cyclosporin A;9-(N-methylisoleucine)cyclosporin A;NIM 811;NIM-811;NIM811;SDZ NIM 811;SDZ NIM811;SDZ-NIM-811;SDZ-NIM811

Chemical Property of (Melle-4)cyclosporin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1293.6°Cat760mmHg
• PKA: 13.32±0.70(Predicted)
• Flash Point: 736.2°C
• PSA: 292.76000
• Density: 1.018g/cm³
• LogP: 3.93790
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 15
• Exact Mass: 1201.84136802
• Heavy Atom Count: 85
• Complexity: 2330

Purity/Quality:

99%, ^*data from raw suppliers

NIM811 98.82% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)CC)C)C
• Isomeric SMILES: CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)[C@@H](C)CC)C)C
• Recent ClinicalTrials: Adaptive-design Dose Finding Study to Assess the Antiviral Efficacy and Safety of NIM811 Administered in Combination With Standard of Care (SOC) in Relapsed Hepatitis C Virus 1 (HCV-1) Infected Patients
• Recent EU Clinical Trials: A randomized, adaptive-design dose finding study to assess the antiviral efficacy and