Enniatin B1

Base Information

• Chemical Name: Enniatin B1
• CAS No.: 19914-20-6
• Molecular Formula: C34H59 N3 O9
• Molecular Weight: 653.85
• Hs Code.: 2941900000
• European Community (EC) Number: 695-634-3
• UNII: I1MZD05X9S
• ChEMBL ID: CHEMBL446318
• DSSTox Substance ID: DTXSID70891861
• Metabolomics Workbench ID: 114907
• Nikkaji Number: J497.183C
• Wikidata: Q27280257
• Mol file: 19914-20-6.mol

Synonyms:Enniatin B1;19914-20-6;I1MZD05X9S;(3S,6R,9S,12R,15S,18R)-3-[(2S)-butan-2-yl]-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone;Cyclo((2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl);Cyclo[(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl];UNII-I1MZD05X9S;CHEMBL446318;DTXSID70891861;HY-N3807;AKOS040740781;BE162723;1ST001561;1ST001561-100A;CS-0024255;NS00094906;Enniatin B1 Solution in Acetonitrile, 100ug/mL;J-012868;Q27280257

Chemical Property of Enniatin B1

Chemical Property:

• Vapor Pressure: 5.58E-28mmHg at 25°C
• Melting Point: 178.5 °C
• Boiling Point: 833.8°Cat760mmHg
• PKA: -1.45±0.70(Predicted)
• Flash Point: 458°C
• PSA: 139.83000
• Density: 1.031g/cm³
• LogP: 3.35620
• Storage Temp.: ?20°C
• Solubility.: DMSO: soluble10mg/mL
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 653.42513047
• Heavy Atom Count: 46
• Complexity: 1100

Purity/Quality:

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

Enniatin B1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C
• Isomeric SMILES: CC[C@H](C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C
• Uses: Enniatins are a family of depsipeptide ionophores, produced several Fusarium species. More recently, the effects of the enniatins on acyl-CoA cholesterol transferase, transporters and the selectivity of their antitumour action have received more focus. Enniatin B1 is one of four major analogues of the enniatin complex and has not previously been available for investigation. Enniatins are a family of depsipeptide ionophores produced by several Fusarium species. Recently, the effects of the enniatins on acyl-CoA cholesterol transferase, transporters and the selectivity of their antitumor action have received more focus. Enniatin B1 is one of four major analogues of the enniatin complex. Enniatins are cyclohexadepsipeptides commonly isolated from fungi and are known to have antibiotic properties. Many act as ionophores, forming pores in cellular membranes to allow selective ion transport. Enniatin B1 is one of four major analogs of the enniatin complex . It has been shown to induce apoptosis in several cancer lines (EC50s ≤ 10 μM) and to decrease the activation of the cell proliferation kinase, ERK (p44/p42). Enniatin B1 also inhibits the multi-drug resistance transporter Pdr5p from S. cerevisiae and has been used to examine drug resistance mechanisms.