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化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
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Desmethyl tirilazad

HCID 104933
ノート反応
基本情報名称と識別子物性化学と産業関連反応化合物ノート
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基本情報

CAS
111668-89-4
標準SMILES
CS(=O)(=O)O.C[C@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)[C@@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@@H]12
InChIKey
QZGBZPCDCMUFCW-FRVIMOPGSA-N
分子式
C38H54N6O5S
平均分子量
706.9 g/mol
単同位体質量
706.38764002

名称と識別子

優先名称
Desmethyl tirilazad
IUPAC
(8S,10S,13S,14S,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one;methanesulfonic acid

名称と別名

Desmethyl tirilazadRefChem:386816Trilazad mesylateu-74389g111668-89-4U 74389G16-DesmethyltirilazidU74389FU 74389FU-74389FU 74389U-74389
名称をさらに表示
DTXSID1091224621-(4-(2,6-di-1-Pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-pregna-1,4,9(11)-triene-3,20-dione monomethanesulfonatePregna-1,4,9(11)-triene-3,20-dione, 21-(4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-, monomethanesulfonateSCHEMBL30634003(8S,10S,13S,14S,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one;methanesulfonic acidMethanesulfonic acid--21-{4-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}pregna-1,4,9(11)-triene-3,20-dione (1/1)

データベース識別子

CAS
111668-89-4
PubChem CID
104933
DTXSID
DTXSID10912246

物性

構造計算による物性

極性表面積
136 Ų
水素結合供与体数
1
水素結合受容体数
11
回転可能結合数
6
重原子数
50
形式電荷
0
複雑度
1,350

化学と産業

薬理情報

MeSH Pharmacological Classification · 4 件

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

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.

Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.

Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.

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化合物ノート

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