Jasplakinolide

• Catalog Number: ACM102396247
• Product Name: Jasplakinolide
• CAS: 102396-24-7
• Category: Inhibitors
• Description: Jasplakinolide, a naturally occurring cyclic peptide from the marine sponge, has both fungicidal and anti-cancer activity.
• Synonyms: (3S,6R,9R,13S,15R,16E,19S)-3,5,13,15,17,19-Hexamethyl-6-[(2-bromo-1H-indole-3-yl)methyl]-9-(4-hydroxyphenyl)-12-oxa-2,5,8-triazacyclononadeca-16-ene-1,4,7,11-tetraone
• IUPAC Name: (4R,7R,10S,13S,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
• Molecular Weight: 709.7
• Molecular Formula: C36H45BrN4O6
• Canonical SMILES: CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=C(NC3=CC=CC=C32)Br)C4=CC=C(C=C4)O)C
• InChI: InChI=1S/C36H45BrN4O6/c1-20-15-21(2)17-23(4)47-32(43)19-30(25-11-13-26(42)14-12-25)40-35(45)31(18-28-27-9-7-8-10-29(27)39-33(28)37)41(6)36(46)24(5)38-34(44)22(3)16-20/h7-15,21-24,30-31,39,42H,16-19H2,1-6H3,(H,38,44)(H,40,45)/b20-15+/t21-,22-,23-,24-,30+,31+/m0/s1
• InChI Key: GQWYWHOHRVVHAP-DHKPLNAMSA-N
• Melting Point: 110 °C
• Solubility: Soluble in DMSO
• Appearance: Solid
• Storage: Sealed storage, away from moisture. Powder-80°C, 2 years; -20°C, 1 year; *In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)..
• Complexity: 1140
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 6
• Exact Mass: 708.25225
• Heavy Atom Count: 47
• Isomeric SMILES: C[C@@H]\1C[C@@H](OC(=O)C[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)CC2=C(NC3=CC=CC=C32)Br)C4=CC=C(C=C4)O)C
• Monoisotopic Mass: 708.25225
• Physical State: Powder
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: Marine sponge
• Storage Conditions: Powder: -20°C for 3 years; In solvent: -80°C for 2 years
• Topological Polar Surface Area: 141 Ų