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· · COA & SDS available for every product · Same-day shipping on in-stock items VER-155008 - 10mM in DMSO , CAS No.1134156-31-2
GRADE & PURITY 10mM in DMSO
Synonyms
4-({[(2R,3S,4R,5R)-5-(6-amino-8-{[(3,4-dichlorophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}methyl)benzonitrile | SMR004701641 | HMS1920N16 | AC-33008 | 1134156-31-2 | A848921 | DTXSID00649014 | 4io8 | 5'-O-[(4-Cyanophenyl)methyl]-
Shipped In
Dry ice packs + Cold packs
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Why this grade 10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -80°C Ships Dry ice packs + Cold packs 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
4-({[(2R, 3S, 4R, 5R)-5-(6-amino-8-{[(3, 4-dichlorophenyl)methyl]amino}-9H-purin-9-yl)-3, 4-dihydroxyoxolan-2-yl]methoxy}methyl)benzonitrile | SMR004701641 | HMS1920N16 | AC-33008 | 1134156-31-2 | A848921 | DTXSID00649014 | 4io8 | 5'-O-[(4-Cyanophenyl)methyl]-
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Novel adenosine-derived inhibitor of Heat Shock Protein 70 (Hsp70) (IC50= 0.5μM). Inhibits cell proliferation of multiple human tumor cell linesin vitro. Also binds Hsc70 and Grp78; displays selectivity against Hsp90β(IC50>200μM for Hsp90β).
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1=CC(=CC=C1COCC2C(C(C(O2)N3C4=NC=NC(=C4N=C3NCC5=CC(=C(C=C5)Cl)Cl)N)O)O)C#N IUPAC Name 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl]benzonitrile InChIKey ZXGGCBQORXDVTE-UMCMBGNQSA-N INCHI 1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1 Isomeric SMILES C1=CC(=CC=C1COC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3NCC5=CC(=C(C=C5)Cl)Cl)N)O)O)C#N WGK Germany 3 PubChem CID 25195348 Molecular Weight 556.4
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 Nucleosides, nucleotides, and analogues Class Purine nucleosides Subclass Not available Intermediate Tree Nodes Not available Direct Parent Purine nucleosides Alternative Parents Glycosylamines 6-aminopurines Pentoses Benzylethers Benzonitriles Benzylamines Dichlorobenzenes Secondary alkylarylamines Aminopyrimidines and derivatives Aminoimidazoles Aryl chlorides N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Dialkyl ethers Nitriles Azacyclic compounds Oxacyclic compounds Organochlorides Organopnictogen compounds Primary amines Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Benzylether - Imidazopyrimidine - Purine - Benzonitrile - Benzylamine - 1,2-dichlorobenzene - Aminopyrimidine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Benzenoid - Imidolactam - Pyrimidine - Aminoimidazole - Aryl chloride - Aryl halide - N-substituted imidazole - Monosaccharide - Monocyclic benzene moiety - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Secondary amine - Nitrile - Carbonitrile - Organoheterocyclic compound - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organooxygen compound - Primary amine - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Alcohol - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. 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 Molecular Weight 556.400 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 8 Exact Mass 555.119 Da Monoisotopic Mass 555.119 Da Topological Polar Surface Area 164.000 Ų Heavy Atom Count 38 Formal Charge 0 Complexity 831.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 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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