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

CAS: 23205-42-7 Cat. No.: D349610 분자식: C₁₀H₁₃NO₆ 분자량: 243.21 EC 번호: 245-488-8

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

제품 특성

pKa

pKa: 4.5 (Predicted)

이름과 식별자

Pubchem Sid

528759243

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

분자량

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
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Glycosylamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

CCRF-CEM (65223 Activities)

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WISH (126 Activities)

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관련 대상(비인간)

Mus musculus (284745 Activities)

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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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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in DMSO, methanol, and water.
• 굴절률: n20D1.71 (Predicted)
• 끓는점(°C): ~569.2° C at 760 mmHg (Predicted)
• 녹는점(°C): >207° C (dec.)
• 분자량: 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