(S)-9-(2,3-Dihydroxypropyl)adenine , CAS No.54262-83-8

CAS: 54262-83-8 Cat. No.: S667964 Peso molecular: 209.21

Synonyms

(S)-9-(2,3-Dihydroxypropyl)adenine | S-Dihydroxypropyladenine | (2S)-3-(6-aminopurin-9-yl)propane-1,2-diol | (S)-DHPA | (S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol | (2s)-3-(6-amino-9h-purin-9-yl)propane-1,2-diol | 9-D-(2,3-Dihydroxypropyl)adenine | 9-(

Storage

Room temperature

Specifications

Sinónimos

(S)-9-(2, 3-Dihydroxypropyl)adenine | S-Dihydroxypropyladenine | (2S)-3-(6-aminopurin-9-yl)propane-1, 2-diol | (S)-DHPA | (S)-3-(6-amino-9H-purin-9-yl)propane-1, 2-diol | (2s)-3-(6-amino-9h-purin-9-yl)propane-1, 2-diol | 9-D-(2, 3-Dihydroxypropyl)adenine | 9-(

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

• ALogP: -1.5

Nombres e identificadores

• Sonrisas canónicas: C1=NC(=C2C(=N1)N(C=N2)CC(CO)O)N
• IUPAC Name: (2S)-3-(6-aminopurin-9-yl)propane-1,2-diol
• InChIKey: GSLQFBVNOFBPRJ-YFKPBYRVSA-N
• INCHI: 1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)/t5-/m0/s1
• Isómeros SMILES: C1=NC(=C2C(=N1)N(C=N2)C[C@@H](CO)O)N
• Peso molecular: 209.21
• Reaxy-Rn: 990757
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=990757&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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 Secondary alcohols 1,2-diols Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - Imidolactam - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - 1,2-diol - Secondary alcohol - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Amine - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

AHCY Tchem Adenosylhomocysteinase (1 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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ADORA2B Tclin Adenosine A2b receptor (7672 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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WI-38 (2654 Activities)

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E6SM (1586 Activities)

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HEL (6614 Activities)

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HeLa (62764 Activities)

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Objetivos asociados (no humanos)

Ahcy Adenosylhomocysteinase (45 Activities)

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Enterovirus C (520 Activities)

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Monkeypox virus (80 Activities)

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Human alphaherpesvirus 2 (4932 Activities)

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Human respirovirus 3 (1674 Activities)

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Influenza B virus (2113 Activities)

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Human alphaherpesvirus 3 (4092 Activities)

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Human betaherpesvirus 5 (5122 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Cowpox virus (428 Activities)

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Vaccinia virus (4609 Activities)

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Variola virus (134 Activities)

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Human alphaherpesvirus 1 (11089 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Moloney murine sarcoma virus (182 Activities)

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Poliovirus 1 (1274 Activities)

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Reovirus sp. (323 Activities)

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Semliki Forest virus (705 Activities)

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Sindbis virus (1599 Activities)

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Measles morbillivirus (693 Activities)

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Vesicular stomatitis virus (4460 Activities)

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Influenza A virus (11224 Activities)

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Punta Toro virus (1491 Activities)

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Human immunodeficiency virus 2 (5592 Activities)

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Coxsackievirus (559 Activities)

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Coxsackievirus B4 (2249 Activities)

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Respiratory syncytial virus (3434 Activities)

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Vero (26788 Activities)

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Felid alphaherpesvirus 1 (460 Activities)

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Feline coronavirus (624 Activities)

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Mammalian orthoreovirus 1 (1523 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 209.210 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 209.091 Da
• Monoisotopic Mass: 209.091 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 217.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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