17β-guanidinoiminomethyl-5β-androstan-3β,14β-diol

• 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: 17β-guanidinoiminomethyl-5β-androstan-3β,14β-diol
• 英文别名: 2-[(E)-[(3S,5R,8R,9S,10S,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]methylideneamino]guanidine
• 化学式: C₂₁H₃₆N₄O₂
• 分子量: 376.542
• InChiKey: OAFIVRUVYWMTHX-WSXXDHOZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  117
• 氢给体数：
  4
• 氢受体数：
  4

文献信息

• Use of imino derivatives of etianaldehyde for the manufacture of a medicament for the treatment of hypertension
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0578052A1

  公开（公告）日：1994-01-12

  The use of imino derivatives of 3β,14β-dihydroxy-etianaldehyde having formula (I). wherein R represents NHC(=O)NH₂ and NHC(=NH)NH₂ for treating hypertension is disclosed.

  使用具有式（I）的 3β、14β-二羟基-乙二醛的亚氨基衍生物。 其中 R代表NHC(=O)NH₂和NHC(=NH)NH₂。 本发明公开了用于治疗高血压的
• New 17-iminomethylalkenyl-5beta-14beta-androstane and 17-iminoalkyl-5beta-14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0659761A2

  公开（公告）日：1995-06-28

  The present invention provides 17-Iminomethylalkenyl- and 17-iminoalkyl-14β-hydroxy-5β-androstane derivatives of general formula (I): wherein: the symbol means a or configuration or a Z or E configuration; A represents (CH2)m or -(CH = CH)n-; m represents an integer number from 1 to 6; n represents an integer number from 1 to 3. R1 represents hydrogen, C2-C4 alkyl unsubstituted or substituted by NR4R5 wherein R4, R5 which may be the same or different, represent hydrogen, C1-C4 alkyl or R4 and R5 may form, taken together with the nitrogen atom, a five- or six-membered heterocyclic ring optionally containing one or more further heteroatoms selected from oxygen and nitrogen; R2 represents hydrogen or hydroxy; R3 represents NHC(=X)NR6Ry or OR8 wherein R6, R7 which may be the same or different, represent hydrogen, methyl or C2-C4 alkyl unsubstituted or substituted by NR4 R5 wherein R4 and R5 have the previously defined meanings; R8 represents hydrogen; methyl; C2-C6 alkyl, unsubstituted or substituted by one or more NR4R5 or NHC(=NH)NH2, wherein R4 and R5 have the previously defined meanings; X represents O, S or NR9; R9 represents hydrogen, methyl, C2-C4 alkyl, C2-C4 acyl or phenyl, where the C2-C4 alkyl, C2-C4 acyl are unsubstituted or substituted by NR4 R5, wherein R4 and R5 have the previously defined meanings; and R6, R7, R9 taken two by two may form, together with the heteroatoms they are linked to, and where possible, a five- or six- or seven-membered heterocyclic ring.

  本发明提供 通式(I)的17-亚甲基烯基和17-亚氨基烷基-14β-羟基-5β-雄甾烷衍生物： 其中 符号表示或构型或 Z 或 E 构型； A 代表 (CH2)m 或 -(CH = CH)n-； m 代表 1 至 6 的整数； n 代表 1 至 3 的整数。 R1 代表氢、未取代的 C2-C4 烷基或被 NR4R5 取代的 C2-C4 烷基，其中 R4、R5 可以相同或不同，代表氢、C1-C4 烷基或 R4 和 R5 可与氮原子一起形成一个五元或六元杂环，该杂环可任选含有一个或多个选自氧和氮的杂原子； R2 代表氢或羟基； R3 代表 NHC(=X)NR6Ry 或 OR8，其中 R6、R7 可以相同或不同，代表氢、甲基或未取代的 C2-C4 烷基或被 NR4 R5 取代的 C2-C4 烷基，其中 R4 和 R5 具有前面定义的含义； R8 代表氢；甲基；未被一个或多个 NR4R5 取代或取代的 C2-C6 烷基或 NHC(=NH)NH2，其中 R4 和 R5 具有前面定义的含义； X 代表 O、S 或 NR9； R9 代表氢、甲基、C2-C4 烷基、C2-C4酰基或苯基，其中 C2-C4 烷基、C2-C4酰基未被 NR4R5 取代或被 NR4R5 取代，其中 R4 和 R5 具有前面定义的含义；以及 R6、R7、R9 与它们相连的杂原子可组成五元或六元或七元杂环。
• New 17-hydroxyiminomethyl-5beta, 14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0583579B1

  公开（公告）日：1997-12-03
• New hydrazino and hydroxyamino-14beta-hydroxyandrostane derivatives active on the cardio-vascular system, processes for their preparation and pharmaceutical compositions containing same
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0688786B1

  公开（公告）日：1997-08-06
• New 17-(3-imino-2-alkyl-propenyl)-5beta,14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0714908B1

  公开（公告）日：1998-02-25