基本情報
- 標準SMILES
OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O- InChIKey
NKGPJODWTZCHGF-KQYNXXCUSA-N- 分子式
- C10H12N4O4S
- 平均分子量
- 284.29 g/mol
概要
Thioinosine is a sulfhydryl analog of inosine and an antimetabolite with potential antineoplastic and immunosuppressive properties. Thioinosine interferes with de novo purine synthesis and perturbs the pool of nucleotides necessary for DNA replication. As a result, this agent inhibits DNA synthesis, blocks cellular proliferation and induces apoptosis.
名称と識別子
- 優先名称
- 6-Thioinosine
- IUPAC
- 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
名称と別名
574-25-46-ThioinosineTHIOINOSINERibosyl-6-thiopurineMercaptopurine ribonucleosideMercaptopurine riboside6-Mercaptopurine ribonucleoside6H-Purine-6-thione, 1,9-dihydro-9-ribofuranosyl-9H-Purine-6(1H)-thione, 9-beta-D-ribofuranosyl-46S541971TRibosyl-6-mercaptopurineRibosyl 6 mercaptopurine
名称をさらに表示
6 Mercaptopurine RibosideRiboside, 6-MercaptopurineNSC4911inosine, 6-thioRefChem:189543DTXCID301478415209-371-5DTXSID5046019
データベース識別子
- CAS
4988-64-1、574-25-4- PubChem CID
- 676166
- ChEMBL
CHEMBL448290- UNII
- 46S541971T
- EC Number
- 209-371-5
- Nikkaji
- J33.135J
物性
構造計算による物性
- XLogP
- -0.6
- 極性表面積
- 144 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
- 19
- 形式電荷
- 0
- 複雑度
- 409
実験および物理化学的性質
LogP-0.6
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
化学と産業
薬理情報
MeSH Pharmacological Classification
Antimetabolites that are useful in cancer chemotherapy.
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.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysAzathioprine Action Pathway
関連反応
4 件
関連ノート
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