AT-13387 | B1961

AT-13387 is a synthetic, orally bioavailable and small-molecule inhibitor of heat shock protein 90 (Hsp90) with IC₅₀ value of 18 nM in A375 cells. Hsp90 acts as a “molecular chaperone” stabilizing and preventing the breakdown of key cancer-forming (oncogenic) proteins.

AT-13387 is a synthetic, orally bioavailable and small-molecule inhibitor of heat shock protein 90 (Hsp90) with IC₅₀ value of 18 nM in A375 cells. Hsp90 acts as a “molecular chaperone” stabilizing and preventing the breakdown of key cancer-forming (oncogenic) proteins.

B1961 | AT-13387 DataSheet

Alternate Name/Synonyms: (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone; Onalespib

Appearance: Crystalline solid

Formulation: N/A

CAS Number: 912999-49-6

Structure Available?: Yes

Peptide sequence: N/A

Salt Form: No

Molecular Formula: C₂₄H₃₁N₃O₃

Molecular Weight: 409.5

Cell-Permeable?: Yes

Purity: ≥98% by HPLC

Solubilities: DMSO (>10 mg/ml)

Handling: Protect from air and light

Country of Origin: USA

Tag Line: A potent heat shock protein 90 (Hsp90) inhibitor

MDL Number: N/A

PubChem CID: 11955716

SMILES: CC(C)C1=C(C=C(C(=C1)C(=O)N2CC3=C(C2)C=C(C=C3)CN4CCN(CC4)C)O)O

InChi: InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3

InChi Key: IFRGXKKQHBVPCQ-UHFFFAOYSA-N