基本情報
- CAS
110101-65-0- 標準SMILES
CCN(CC)c1ccc(N(CC)CC)c(N2CCN(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)n1.Cl- InChIKey
BINFIZGKEZTZIO-ZRTOZFNYSA-N- 分子式
- C39H58ClN5O2
- 平均分子量
- 664.4 g/mol
- 単同位体質量
- 663.4279038
概要
potent inhibitor of iron-dependent lipid peroxidation; has excellent activity in in vivo models of experimental CNS trauma & ischemia; structure given in first source; RN given is for 3,6-bis(diethylamino) cpd; Cancer Lett 1992;64(1):61-6 uses 5,6-bis(diethylamino) cpd for U 74500A
名称と識別子
- 優先名称
- U-74500A
- IUPAC
- (8S,10S,13S,14S,16R,17S)-17-[2-[4-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one;hydrochloride
名称と別名
U-74500A110101-65-0U 74500AIDW4RCM01LU74500APregna-1,4,9(11)-triene-3,20-dione, 21-(4-(3,6-bis(diethylamino)-2-pyridinyl)-1-piperazinyl)-16-methyl-, hydrochloride, (16alpha)-U74500EU-74500ERefChem:192807UNII-IDW4RCM01L21-(4-(3,6-Bis(diethylamino)-2-pyridinyl)-1-piperazinyl)-16-methylpregna-1,4,9(11)triene-3,20-dione hcl21-(4-(5,6-Bis(diethylamino)-2-pyridinyl)-1-piperazinyl)-16-methylpregna-1,4,9(11)triene-3,20-dione hcl
名称をさらに表示
SCHEMBL31690230DTXSID70911497(8S,10S,13S,14S,16R,17S)-17-[2-[4-[3,6-bis(diethylamino)pyridin-2-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one;hydrochlorideQ2728067421-{4-[3,6-Bis(diethylamino)pyridin-2-yl]piperazin-1-yl}-16-methylpregna-1,4,9(11)-triene-3,20-dione--hydrogen chloride (1/1)21-{4-[3,6-Bis(diethylamino)pyridin-2-yl]piperazin-1-yl}-16alpha-methylpregna-1,4,9(11)-triene-3,20-dione--hydrogen chloride (1/1)PREGNA-1,4,9(11)-TRIENE-3,20-DIONE, 21-(4-(3,6-BIS(DIETHYLAMINO)-2-PYRIDINYL)-1-PIPERAZINYL)-16-METHYL-, HYDROCHLORIDE, (16.ALPHA.)-
データベース識別子
- CAS
110101-65-0
物性
構造計算による物性
- 極性表面積
- 60 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 10
- 重原子数
- 47
- 形式電荷
- 0
- 複雑度
- 1,230
化学と産業
薬理情報
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
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.
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