2-チオシチジン - ≥98% , CAS No.13239-97-9

CAS: 13239-97-9 Cat. No.: T339732 分子式: C₉H₁₃N₃O₄S 分子量: 259.28 PubChem CID: 3011746

GRADE & PURITY ≥98%

Synonyms

2-チオ-D-シチジン

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

概要

2-チオシチジンは、大腸菌｜tRNA｜の加水分解物から単離されたヌクレオシド塩基である。

2-チオアクチジンは、大腸菌｜tRNA｜の加水分解物から単離されたヌクレオシド塩基である。
2-チオシチジンはプリンヌクレオシドアナログである。プリンヌクレオシド類似体は広範な抗腫瘍活性を有し、不活性リンパ系の悪性腫瘍を標的とする。この過程の抗癌メカニズムはDNA合成の阻害、アポトーシスの誘導などに依存する。

応用

2-チオシチジンはシチジンのアナログである。黄金茶抽出物経口投与後のHFD誘発肥満マウスにおけるプロファイリング代謝物。

Specifications

同義語

2-チオ-D-シチジン

仕様と純度

≥98%

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

純度

≥98%

名前と識別子

パブケム・シド

504762290

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504762290

カノニカル・スマイル

C1=CN(C(=S)N=C1N)C2C(C(C(O2)CO)O)O

IUPAC Name

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione

InChIKey

RHFUOMFWUGWKKO-XVFCMESISA-N

INCHI

1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)/t4-,6-,7-,8-/m1/s1

異性体SMILES

C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

PubChem CID

3011746

分子量

259.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 分類 Pyrimidine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 分類: Pyrimidine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine nucleosides
• Alternative Parents: Glycosylamines Pentoses Pyrimidinethiones Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organosulfur compounds Primary alcohols Primary amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Aminopyrimidine - Pyrimidinethione - Hydropyrimidine - Monosaccharide - Pyrimidine - Imidolactam - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Primary amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety.
• External Descriptors: cytidines

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

化学的性質と物理的性質

• 溶解度: Methanol (Slightly)；Water (Slightly)；DMSO: 1 mg/ml,DMSO:PBS (pH 7.2) (1:6): 0.14 mg/ml,PBS (pH 7.2): slightly soluble
• 感度: Moisture Sensitive
• 分子量: 259.279 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 259.063 Da
• Monoisotopic Mass: 259.063 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 386.000
• 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