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· · COA & SDS available for every product · Same-day shipping on in-stock items AT13387 - ≥98% , Heat shock protein HSP90 inhibitor, CAS No.912999-49-6, Heat shock protein HSP90 inhibitor
Synonyms
Onalespib | 912999-49-6 (free base) | Q7Y33N57ZZ | Onalespib (AT13387) | (2,4-Dihydroxy-5-isopropylphenyl)(5-((4-methylpiperazin-1-yl)methyl)isoindolin-2-yl)methanone | AT 13387 | AT13387 | AT-13387 | ATI13387X
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Onalespib | 912999-49-6 (free base) | Q7Y33N57ZZ | Onalespib (AT13387) | (2, 4-Dihydroxy-5-isopropylphenyl)(5-((4-methylpiperazin-1-yl)methyl)isoindolin-2-yl)methanone | AT 13387 | AT13387 | AT-13387 | ATI13387X
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
AT13387 is a synthetic, orally bioavailable, small-molecule inhibitor of heat shock protein 90 (Hsp90) with potential antineoplastic activity. Hsp90 inhibitor AT13387 selectively binds to Hsp90, thereby inhibiting its chaperone function and promoting the
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Heat shock protein HSP90 inhibitor
Note
Refer to SDS for further information Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Properties Names and Identifiers Pubchem Sid 504766817 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504766817 Canonical Smiles CC(C)C1=CC(=C(C=C1O)O)C(=O)N2CC3=C(C2)C=C(C=C3)CN4CCN(CC4)C IUPAC Name (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone InChIKey IFRGXKKQHBVPCQ-UHFFFAOYSA-N 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 Isomeric SMILES CC(C)C1=CC(=C(C=C1O)O)C(=O)N2CC3=C(C2)C=C(C=C3)CN4CCN(CC4)C Molecular Weight 409.52 Reaxy-Rn 18536397 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18536397&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Hydroxybenzoic acid derivatives - Salicylic acid and derivatives Direct Parent Salicylamides Alternative Parents Benzamides Cumenes Isoindoles Isoindolines Phenylpropanes Benzoyl derivatives Resorcinols N-methylpiperazines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Tertiary carboxylic acid amides Vinylogous acids Amino acids and derivatives Trialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Salicylamide - Benzamide - Cumene - Isoindoline - Isoindole - Isoindole or derivatives - Phenylpropane - Benzoyl - Resorcinol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Vinylogous acid - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO 25 mg/mL Water <1 mg/mL Ethanol <1 mg/mL Molecular Weight 409.500 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 409.237 Da Monoisotopic Mass 409.237 Da Topological Polar Surface Area 67.300 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 592.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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