SDZ WAG 994 - ≥98% , CAS No.130714-47-5

CAS: 130714-47-5 Cat. No.: S287436 Formula: C₁₇H₂₅N₅O₄ Peso molecolare: 363.41 PubChem CID: 164305

GRADE & PURITY ≥98%

Synonyms

HMS3677O16 | E98669 | AKOS024457116 | WAG 994 | (2R,3R,4R,5R)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol | n-cyclohexyl-2'-o-methyladenosine | N-Cyclohexyl-9-(2-O-methylpentofuranosyl)-9H-purin-6-amine | SCHEMBL303794 | Sdz w

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

HMS3677O16 | E98669 | AKOS024457116 | WAG 994 | (2R,3R,4R,5R)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol | n-cyclohexyl-2'-o-methyladenosine | N-Cyclohexyl-9-(2-O-methylpentofuranosyl)-9H-purin-6-amine | SCHEMBL303794 | Sdz w

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Potent and selective A1adenosine receptor agonist (Kivalues are 23, > 10000 and 25000 nM for A1, A2Aand A2Breceptors respectively). Causes a sustained fall in blood pressure and heart rate in spontaneous hypertensive rats and inhibits adenosine deaminase-

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508811092

Sorrisi canonici

COC1C(C(OC1N2C=NC3=C(N=CN=C32)NC4CCCCC4)CO)O

IUPAC Name

(2R,3R,4R,5R)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol

InChIKey

JAKAFSGZUXCHLF-LSCFUAHRSA-N

INCHI

1S/C17H25N5O4/c1-25-14-13(24)11(7-23)26-17(14)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-2-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1

Isomeri SMILES

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC4CCCCC4)CO)O

PubChem CID

164305

Peso molecolare

363.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Purine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: 6-alkylaminopurines Glycosylamines Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Monosaccharides N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Imidolactam - Pyrimidine - Monosaccharide - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Tetrahydrofuran - Secondary alcohol - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Secondary amine - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: 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.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cavia porcellus (23802 Activities)

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Gerbillinae (442 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:1.1eq. NaOH, Max Conc. mg/mL: 36.34, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 36.34, Max Conc. mM: 100
• Peso molecolare: 363.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 363.191 Da
• Monoisotopic Mass: 363.191 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 466.000
• 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