基本情報
- CAS
53458-28-9- 標準SMILES
CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O- InChIKey
WUUGFSXJNOTRMR-ICQCTTRCSA-N- 分子式
- C11H15N5O3S
- 平均分子量
- 297.34 g/mol
- 単同位体質量
- 297.08956053
概要
naturally occurring analog of 5'-deoxy-5'-methylthioadenosine; structure given in first source
名称と識別子
- 優先名称
- 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine
- IUPAC
- (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
名称と別名
Xylosyl-methylthio-adenosine9-Dmxa53458-28-99-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine9-(5'Deoxy-5'-(methylthio)-beta-D-xylofuranosyl)adenineRefChem:107686(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diolNSC 2088359H-Purin-6-amine, 9-(5-S-methyl-5-thio-beta-D-arabinofuranosyl)-
データベース識別子
- CAS
53458-28-9- PubChem CID
- 99302
物性
構造計算による物性
- XLogP
- -0.3
- 極性表面積
- 145 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 8
- 回転可能結合数
- 3
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 352
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
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.
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