基本情報
- CAS
7085-54-3- 標準SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1S- InChIKey
NYTIUBZWEKOZRY-HBPOCXIASA-N- 分子式
- C9H12N2O5S
- 平均分子量
- 260.27 g/mol
- 単同位体質量
- 260.04669266
名称と識別子
- 優先名称
- 5-Mercapto-2'-deoxyuridine
- IUPAC
- 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylpyrimidine-2,4-dione
名称と別名
Uridine, 2'-deoxy-5-mercapto-5-Mercapto-2'-deoxyuridine7085-54-34IM5ND7S7JNSC-238130RefChem:1030051-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylpyrimidine-2,4-dioneNSC238130NSC 238130UNII-4IM5ND7S7J2'-Deoxy-5-mercaptouridineSCHEMBL8169628
名称をさらに表示
CHEMBL3228323Uridine, 2'-deoxy-5,6-dihydro-5-thioxo-2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-5-mercapto-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-sulfanyl-pyrimidine-2,4-dione
データベース識別子
- CAS
7085-54-3- PubChem CID
- 99529
- ChEMBL
CHEMBL3228323- UNII
- 4IM5ND7S7J
- Nikkaji
- J93.351A
物性
構造計算による物性
- XLogP
- -1.2
- 極性表面積
- 100 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 2
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 386
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.
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