Vapreotide

Base Information

• Chemical Name: Vapreotide
• CAS No.: 103222-11-3
• Molecular Formula: C57H70N12O9S2
• Molecular Weight: 1131.37
• UNII: 2PK59M9GFF
• DSSTox Substance ID: DTXSID00883113
• Nikkaji Number: J390.648E
• Wikipedia: Vapreotide
• NCI Thesaurus Code: C1429
• Metabolomics Workbench ID: 149323
• ChEMBL ID: CHEMBL3349523
• Mol file: 103222-11-3.mol

Synonyms:D-Phe-Cys-Tyr-D-Trp-Lys-Val-Cys-Trp-NH2;D-phenylalanyl-cysteinyl-tyrosyl-D-tryptophyl-lysyl-valyl-cysteinyl-tryptophanamide;Octastatin;RC 160;RC-160;vapreotide

Chemical Property of Vapreotide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.699
• Boiling Point: 1540.9 °C at 760 mmHg
• PKA: 9.90±0.15(Predicted)
• Flash Point: 885.7 °C
• PSA: 401.24000
• Density: 1.4 g/cm³
• LogP: 6.53830
• Storage Temp.: −20°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 18
• Exact Mass: 1130.48301420
• Heavy Atom Count: 80
• Complexity: 2080

Purity/Quality:

98.0%min ^*data from raw suppliers

RC 160 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)N
• Isomeric SMILES: CC(C)[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N
• Recent ClinicalTrials: Vapreotide in Treating Patients Undergoing Elective Pancreatic Resection
• Uses: Vapreotide is a synthetic somatostatin (S676750) analog predominately used for the treatment of acute variceal bleeding.