Fumitremorgin c

• Catalog Number: ACM118974020
• Product Name: Fumitremorgin c
• CAS: 118974-02-0
• Category: Inhibitors
• Description: Fumitremorgin C is a potent and selective ABCG2/BRCP inhibitor.
• Synonyms: 12α-Fumitremorgin C
• Molecular Weight: 379.5
• Molecular Formula: C₂₂H₂₅N₃O₃
• Canonical SMILES: O=C([C@]1([H])CC2=C([C@H](/C=C(C)\C)N13)NC4=C2C=CC(OC)=C4)N5[C@](CCC5)([H])C3=O
• InChI: InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1
• InChI Key: DBEYVIGIPJSTOR-FHWLQOOXSA-N
• Melting Point: 259.5-260.5 °C
• Appearance: Solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Complexity: 703
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 3
• Exact Mass: 379.18959167
• Heavy Atom Count: 28
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: CC(=C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(N2)C=C(C=C5)OC)C
• Monoisotopic Mass: 379.18959167
• Physical State: Powder
• Rotatable Bond Count: 2
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: Aspergillus fumigatus
• Topological Polar Surface Area: 65.6 Ų