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· · COA & SDS available for every product · Same-day shipping on in-stock items PU-H71 - Moligand™, ≥98% , CAS No.873436-91-0
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
DivK1c_006639 | Oprea1_485666 | STR09510 | UNII-06IVK87M04 | PU-H71, d6 | HMS3653N04 | J-690375 | SB17115 | 06IVK87M04 | FT-0700388 | HY-11038 | PU-H 71 | STK400094 | CAS#873436-91-0 | 9H-Purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview PU-H71 is a potent and selective inhibitor of HSP90 with IC50 of 51 nM. Phase 1
Specifications Synonyms
DivK1c_006639 | Oprea1_485666 | STR09510 | UNII-06IVK87M04 | PU-H71, d6 | HMS3653N04 | J-690375 | SB17115 | 06IVK87M04 | FT-0700388 | HY-11038 | PU-H 71 | STK400094 | CAS#873436-91-0 | 9H-Purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Potent inhibitor of heat shock protein 90 (Hsp90) (IC50= 51 nM in MDA-MB-468 cells). Also inhibits cell growth in a range of breast cancer cell lines (IC50values are 17, 31, 65, 87 and 140 nM for SKBr3, MCF-7, MDA-MB-468, HCC-1806 and MDA-MB-231 cells res
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 528766716 Canonical Smiles CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N IUPAC Name 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine InChIKey SUPVGFZUWFMATN-UHFFFAOYSA-N INCHI 1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) Isomeric SMILES CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N Alternate CAS 2095432-24-7；1202865-65-3 Molecular Weight 512.37 Reaxy-Rn 10389874 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10389874&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 Organosulfur compounds Class Thioethers Subclass Aryl thioethers Intermediate Tree Nodes Not available Direct Parent Diarylthioethers Alternative Parents 6-aminopurines Benzodioxoles Thiophenol ethers Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl iodides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Acetals Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organoiodides Organopnictogen compounds Primary amines Molecular Framework Aromatic heteropolycyclic compounds Substituents Diarylthioether - 6-aminopurine - Benzodioxole - Imidazopyrimidine - Purine - Thiophenol ether - Aminopyrimidine - Aryl halide - Aryl iodide - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Oxacycle - Acetal - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. 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 Solvent:DMSO, Max Conc. mg/mL: 51.24, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 51.24, Max Conc. mM: 100 Sensitivity light sensitive Molecular Weight 512.400 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 7 Exact Mass 512.049 Da Monoisotopic Mass 512.049 Da Topological Polar Surface Area 125.000 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 520.000 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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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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