기본 정보
- 표준 SMILES
OC[C@H]1O[C@@H](n2cnc3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O- InChIKey
NKGPJODWTZCHGF-KQYNXXCUSA-N- 분자식
- C10H12N4O4S
- 평균 분자량
- 284.29 g/mol
개요
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.
이름 및 식별자
- 우선 이름
- 6-Thioinosine
- IUPAC
- 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
이름 및 동의어
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
이름 더 보기
6 Mercaptopurine RibosideRiboside, 6-MercaptopurineNSC4911inosine, 6-thioRefChem:189543DTXCID301478415209-371-5DTXSID5046019
데이터베이스 식별자
- CAS
4988-64-1、574-25-4- PubChem CID
- 676166
- ChEMBL
CHEMBL448290- UNII
- 46S541971T
- EC Number
- 209-371-5
- Nikkaji
- J33.135J
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 409
실험 및 물리화학적 성질
LogP-0.6
안전 및 규제
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
화학 및 산업
약리 정보
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
관련 반응
4건
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