Cyclosporin B

Base Information

• Chemical Name: Cyclosporin B
• CAS No.: 63775-95-1
• Molecular Formula: C61H109N11O12
• Molecular Weight: 1188.60
• European Community (EC) Number: 806-433-9
• UNII: 8PZQ1RZS5A
• ChEMBL ID: CHEMBL4555889
• DSSTox Substance ID: DTXSID501017528
• Nikkaji Number: J55.707B
• Wikidata: Q27270874
• Mol file: 63775-95-1.mol

Synonyms:Cyclosporin B;63775-95-1;8PZQ1RZS5A;Cyclosporin A, 7-L-alanine-;Ala2-cyclosporine;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28,30-decamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone;Antibiotic S 7481F2;UNII-8PZQ1RZS5A;Cyclosporin B (>80%);7-L-Alanine-cyclosporin A;CYCLOSPORIN B [MI];ANTIBIOTIC-S 7481F2;CHEMBL4555889;SCHEMBL16596082;DTXSID501017528;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28,30-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;EX-A2528;HY-P1973;AKOS030573279;CS-0104065;SR-01000872583;SR-01000872583-1;Q27270874;CYCLO(L-ALANYL-D-ALANYL-N-METHYL-L-LEUCYL-N-METHYL-L-LEUCYL-N-METHYL-L-VALYL-(3R,4R,6E)-6,7-DIDEHYDRO-3-HYDROXY-N,4-DIMETHYL-L-2-AMINOOCTANOYL-L-ALANYL-N-METHYLGLYCYL-N-METHYL-L-LEUCYL-L-VALYL-N-METHYL-L-LEUCYL)

Chemical Property of Cyclosporin B

Chemical Property:

• Appearance/Colour: Amorphous white solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 149-152 °C
• Refractive Index: 1.468
• Boiling Point: 1289.7°C at 760 mmHg
• PKA: 13.32±0.70(Predicted)
• Flash Point: 733.8°C
• PSA: 278.80000
• Density: 1.019g/cm³
• LogP: 3.75940
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 14
• Exact Mass: 1187.82571795
• Heavy Atom Count: 84
• Complexity: 2310

Purity/Quality:

99% ^*data from raw suppliers

Cyclosporin B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCC(C)C(C1C(=O)NC(C(=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)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C)O
• Isomeric SMILES: C/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=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)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C)O
• Uses: Cyclosporin B is a minor analogue of the cyclosporin complex produced by a number of different fungal genera including Trichoderma, Tolypocladium, Fusarium, Nectria and Acremonium. Cyclosporin B possesses immunosuppressant and antifungal activities but has been much less extensively investigated than the major analogue, cyclosporin A. An immunosuppressant that has revolutionized organ transplantation through its use in the prevention of graft rejection.A group of nonpolar cyclic oligopeptides with immunosupppressant activity.