3-Deazauridine - ≥98% , CAS No.23205-42-7

CAS: 23205-42-7 Cat. No.: D349610 分子式: C₁₀H₁₃NO₆ 分子量: 243.21 EC番号: 245-488-8

グレード＆純度 ≥98%

Synonyms

UNII-263CU738ZY | 4-Hydroxy-1-beta-D-ribofuranosyl-2(1H)-pyridone | 5-(2-(4-(1,2-benzisothiazol-3-yl)piperazinyl)ethyl)-6-chlorooxindole | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-pyridin-2-one | 3-Deazuridine | F126

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

3-Deazauridine (NSC 126849) is a uridine analogue. 3-Deazauridine competitively inhibits cytidine triphosphate synthase to inhibit the biosynthesis of cytidine-5'-triphosphate. 3-Deazauridine acts synergistically with several antineoplastic agents, acting as a biological response modifier

仕様

同義語

UNII-263CU738ZY | 4-Hydroxy-1-beta-D-ribofuranosyl-2(1H)-pyridone | 5-(2-(4-(1,2-benzisothiazol-3-yl)piperazinyl)ethyl)-6-chlorooxindole | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-pyridin-2-one | 3-Deazuridine | F126

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

製品の性質

pKa

pKa: 4.5 (Predicted)

名前と識別子

パブケム・シド

528759243

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528759243

カノニカル・スマイル

C1=CN(C(=O)C=C1O)C2C(C(C(O2)CO)O)O

IUPAC Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyridin-2-one

InChIKey

CBOKZNLSFMZJJA-PEBGCTIMSA-N

INCHI

1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-3,6,8-10,12-13,15-16H,4H2/t6-,8-,9-,10-/m1/s1

異性体SMILES

C1=CN(C(=O)C=C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

分子量

243.21

Reaxy-Rn

24732009

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24732009&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Glycosylamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Glycosylamines
• Alternative Parents: Pentoses Pyridinones Hydroxypyridines Dihydropyridines Vinylogous acids Oxolanes Heteroaromatic compounds Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-glycosyl compound - Pentose monosaccharide - Dihydropyridine - Hydroxypyridine - Pyridinone - Hydropyridine - Monosaccharide - Pyridine - Heteroaromatic compound - Oxolane - Vinylogous acid - Lactam - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary alcohol - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as glycosylamines. These are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
• 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

関連ターゲット（人間）

CCRF-CEM (65223 Activities)

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WISH (126 Activities)

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関連ターゲット（非人間）

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Human alphaherpesvirus 1 (11089 Activities)

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Enterovirus (1116 Activities)

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L1210 (27553 Activities)

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Vero (26788 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO, methanol, and water.
• 屈折率: n20D1.71 (Predicted)
• 沸点（°C）: ~569.2° C at 760 mmHg (Predicted)
• 融点（°C）: >207° C (dec.)
• 分子量: 243.210 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 243.074 Da
• Monoisotopic Mass: 243.074 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 379.000
• 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