Digitoxigenin-acetat | 808-19-5

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: Digitoxigenin-acetat
• 英文别名: 3-(Acetyloxy)-14-hydroxycard-20(22)-enolide；[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
• CAS: 808-19-5；5041-05-4；5041-06-5；6901-37-7；22040-82-0；24511-75-9；33022-18-3；111900-78-8；114376-37-3；122211-84-1；124152-50-7
• 化学式: C₂₅H₃₆O₅
• 分子量: 416.558
• InChiKey: WJOGTCZNZPHODB-QWTCUPQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  6.1(a)

文献信息

• 17BETA-HETEROCYCLYL-DIGITALIS LIKE COMPOUNDS FOR THE TREATMENT OF HEART FAILURE
  申请人：CVIE Therapeutics Limited

  公开号：EP3599243A1

  公开（公告）日：2020-01-29

  Disclosed are compounds of formula (I) wherein X, Y, Z are annular atoms comprised in a five-membered carbocyclic or heterocyclic ring, selected from the group consisting of CH, NH, N, O, S; said carbocyclic or heterocyclic ring being optionally substituted with amino (C1-C4) linear or branched alkyl or guanidine or guanidino (C1-C4) linear or branched alkyl; with the proviso that the heterocycle ring is not furyl; n is 0 or 1; R is H or OH; the dotted line represents an optional double bond C=C; the thick line represents a bond in the β configuration; the wavy line represents a bond both in the α and β configuration; their enantiomeric and/or diastereomeric mixtures, their pharmaceutically acceptable salts, their solvates, hydrates; their metabolite and metabolic precursors. The compounds of formula (I) are for use as medicaments, in particular for the treatment of acute or chronic heart failure. Oral administration is also possible.

  披露了公式（I）的化合物 其中X，Y，Z是包含在五元碳环或杂环中的环原子，选自由CH，NH，N，O，S组成的组；所述碳环或杂环可任选地被氨基（C1-C4）直链或支链烷基或胍或胍基（C1-C4）直链或支链烷基取代； 条件是杂环不是呋喃基； n是0或1； R是H或OH； 虚线代表任选的双键C=C；粗线代表β构型的键；波浪线代表α和β构型的键； 它们的对映异构体和/或对映异构体混合物，它们的药用可接受盐，它们的溶剂化物，水合物；它们的代谢物和代谢前体。 公式（I）的化合物用于作为药物，特别用于治疗急性或慢性心力衰竭。也可以口服给药。
• [EN] 17BETA-HETEROCYCLYL-DIGITALIS LIKE COMPOUNDS FOR THE TREATMENT OF HEART FAILURE<br/>[FR] COMPOSÉS DE TYPE 17BÊTA-HÉTÉROCYCLYLE DIGITALIQUES POUR LE TRAITEMENT DE L'INSUFFISANCE CARDIAQUE
  申请人：UNIV DEGLI STUDI DI MILANO BICOCCA

  公开号：WO2020020728A1

  公开（公告）日：2020-01-30

  Disclosed are compounds of formula (I), wherein X, Y, Z are annular atoms comprised in a five-membered carbocyclic or heterocyclic ring, selected from the group consisting of CH, NH, N, O, S; saidcarbocyclic or heterocyclic ring being optionally substituted with amino (C1-C4) linear or branched alkyl or guanidine or guanidino (C1-C4) linear or branched alkyl; with the proviso that the heterocycle ring is not furyl; n is 0 or 1; R is H or OH; the dotted line represents an optional double bond C=C; the thick line represents a bond in the β configuration; the wavy line represents a bond both in the α and β configuration; their enantiomeric and/or diastereomeric mixtures, their pharmaceutically acceptable salts, their solvates, hydrates; their metabolite and metabolic precursors. The compounds of formula (I) are for use as medicaments, in particular for the treatment of acute or chronic heart failure. Oral administration is also possible.