VER-155008 - 10mM in DMSO , CAS No.1134156-31-2

CAS: 1134156-31-2 Cat. No.: V420680 Peso molecular: 556.4 PubChem CID: 25195348
Disponible para pedir
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]-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
V420680-1ml
2
116,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
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]-
Especificaciones y pureza
10mM in DMSO
Mecanismos bioquímicos y fisiológicos
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).
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores
Sonrisas canónicasC1=CC(=CC=C1COCC2C(C(C(O2)N3C4=NC=NC(=C4N=C3NCC5=CC(=C(C=C5)Cl)Cl)N)O)O)C#N
IUPAC Name4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl]benzonitrile
InChIKeyZXGGCBQORXDVTE-UMCMBGNQSA-N
INCHI1S/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
Isómeros 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 Alemania 3
PubChem CID 25195348
Peso molecular 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

Taxonomy Tree

KingdomOrganic compounds
SuperclassNucleosides, nucleotides, and analogues
ClasePurine nucleosides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPurine 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 FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
HSPA5 Tchem Endoplasmic reticulum chaperone BiP (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSPA2 Tchem Heat shock-related 70 kDa protein 2 (62 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSPA8 Heat shock cognate 71 kDa protein (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeFechaArticulo
E2422001Certificate of AnalysisApr 03, 2026 V420680
Propiedades químicas y físicas
Peso molecular556.400 g/mol
XLogP32.400
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass555.119 Da
Monoisotopic Mass555.119 Da
Topological Polar Surface Area164.000 Ų
Heavy Atom Count38
Formal Charge0
Complexity831.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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