2'3'-didehydro-2'3'-dideoxyadenosine - ≥97% , CAS No.7057-48-9

CAS: 7057-48-9 Cat. No.: S177240 Formule: C₁₀H₁₁N₅O₂ Poids moléculaire: 233.23 PubChem CID: 64975

GRADE & PURITY ≥97%

Synonyms

NSC 108602 | 2',3'-Didehydro-2',3'-dideoxyadenosine | UNII-SK35877HI5 | NSC108602 | NSC-108602 | DIDANOSINE IMPURITY I [EP IMPURITY] | 2',3'-Dideoxy-2',3'-didehydroadenosine | DIDANOSINE IMPURITY I [WHO-IP] | ddeAdo | SK35877HI5 | [(2S,5R)-5-(6-aminopurin

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

beta-L-D4A is a nucleoside HIV-1 reverse transcriptase inhibitor. The biological activity of beta-L-D4A is connected with the termination of the DNA chain synthesis in the 5'-3' direction.

Specifications

Synonymes

NSC 108602 | 2',3'-Didehydro-2',3'-dideoxyadenosine | UNII-SK35877HI5 | NSC108602 | NSC-108602 | DIDANOSINE IMPURITY I [EP IMPURITY] | 2',3'-Dideoxy-2',3'-didehydroadenosine | DIDANOSINE IMPURITY I [WHO-IP] | ddeAdo | SK35877HI5 | [(2S,5R)-5-(6-aminopurin

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥97%

Noms et identifiants

Sourires canoniques

C1=CC(OC1CO)N2C=NC3=C(N=CN=C32)N

IUPAC Name

[(2S,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methanol

InChIKey

JFUOUIPRAAGUGF-NKWVEPMBSA-N

INCHI

1S/C10H11N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m0/s1

Isomères SMILES

C1=C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)N

PubChem CID

64975

Poids moléculaire

233.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Dihydrofurans Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Dihydrofuran - Heteroaromatic compound - Imidazole - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Primary alcohol - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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

Cibles associées (humaines)

ADA Tclin Adenosine deaminase (129 Activities)

Discover Target: ADA

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DCK Tchem Deoxycytidine kinase (530 Activities)

Discover Target: DCK

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ADK Tchem Adenosine kinase (1481 Activities)

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CCRF-CEM (65223 Activities)

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MT4 (17854 Activities)

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ATH-8 cell line (300 Activities)

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Cibles associées (non humaines)

Human immunodeficiency virus 1 (70413 Activities)

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

Human immunodeficiency virus 2 (5592 Activities)

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

C3H/3T3 (186 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture Sensitive
• Poids moléculaire: 233.230 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 233.091 Da
• Monoisotopic Mass: 233.091 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 313.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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