기본 정보
- CAS
110101-65-0- 표준 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- 분자식
- C39H58ClN5O2
- 평균 분자량
- 664.4 g/mol
- 단동위원소 질량
- 663.4279038
개요
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
이름 및 식별자
- 우선 이름
- 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
이름 및 동의어
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
이름 더 보기
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.)-
데이터베이스 식별자
- CAS
110101-65-0
물성
구조 계산 물성
- 극성 표면적
- 60 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,230
화학 및 산업
약리 정보
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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