Radicicol

• CAS: 12772-57-5
• Catalog Number: ACM12772575
• Category: Inhibitors
• Molecular Weight: 364.8
• Molecular Formula: C₁₈H₁₇ClO₆
• Description: Radicicol is an inhibitor of Hsp90 with an IC50 value < 1 μM, and leads to proteasomal degradation.
• Synonyms: Monorden
• IUPAC Name: (4R,6R,8R,9Z,11E)-16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
• Canonical SMILES: CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
• InChI: InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
• InChI Key: WYZWZEOGROVVHK-GTMNPGAYSA-N
• Boiling Point: 656.2±55.0 °C
• Density: 1.364±0.06 g/cm³
• Complexity: 588
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 3
• Exact Mass: 364.071366
• Heavy Atom Count: 25
• Isomeric SMILES: C[C@@H]1C[C@@H]2[C@H](O2)/C=C\C=C\C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
• Monoisotopic Mass: 364.071366
• Physical State: Powder
• Storage Conditions: Powder: -20°C for 3 years In solvent: -80°C for 2 years
• Topological Polar Surface Area: 96.4 Ų