(1-氨基甲基环己基)-二乙胺 | 131466-47-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (1-氨基甲基环己基)-二乙胺
• 英文名称: (1-Aminomethyl-cyclohexyl)-diethyl-amine
• 英文别名: 1-(aminomethyl)-N,N-diethylcyclohexan-1-amine
• CAS: 131466-47-2
• 化学式: C₁₁H₂₄N₂
• mdl: MFCD05201343
• 分子量: 184.32
• InChiKey: FNFZQQDMUXFKDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2921300090

文献信息

• 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives
  申请人：——

  公开号：US20030060627A1

  公开（公告）日：2003-03-27

  8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives of formula (I): 1 wherein: R 1 , R 2 and R 3 each independently represent: hydrogen; an alkyl group which is unsubstituted or substituted by a hydroxy, alkoxy, alkylthio, amino, mono- or di-alkylamino, hydroxycarbonyl, alkoxycarbonyl, acylamino, carbamoyl or alkylcarbamoyl group; or a group of formula —(CH 2 ) n —R 6 wherein n is an integer from 0 to 4 and R 6 represents: a cycloalkyl group; a phenyl group which may be unsubstituted or substituted by one or more halogen atoms or alkyl, hydroxy, alkylenedioxy, alkoxy, amino, mono- or di-alkylamino, nitro, cyano or trifluoromethyl groups; or a 3 to 7-membered ring comprising from 1 to 4 heteroatoms selected from nitrogen, oxygen and sulphur, which ring may be unsubstituted or substituted by one or more halogen atoms or hydroxy, phenyl, alkoxycarbonyl, amino, mono- alkylamino, di-alkylamino or hydroxycarbonyl groups or one or more alkyl groups which may in turn be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, hydroxyalkoxy, phenyl, alkoxycarbonyl, amino, mono- or di-alkylamino or hydroxycarbonyl groups; either R 4 and R 5 together with the nitrogen atom to which they are attached form a 3 to 7-membered ring comprising a total of from 1 to 4 heteroatoms selected from nitrogen, oxygen and sulphur, which ring may be unsubstituted or substituted by one or more halogen atoms or hydroxy, oxoalkyl, carbamoyl, hydroxycarbonyl, alkoxycarbonyl, trifluoroacetyl, amino, mono- or di-alkylamino groups or an alkylene group, or one or more alkyl, alkenyl or alkynyl groups which may in turn be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, hydroxyalkoxy, amino or mono- or di-alkylamino groups, or R 4 and R 5 independently represent hydrogen, an amidino group or an alkyl, alkenyl or alkynyl group which may be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, alkylthio, amino, mono- or di-alkylamino groups, or R 4 represents hydrogen or an alkyl group and R 5 represents a group of formula —(CH 2 ) n —R 7 wherein n is an integer from 0 to 4 and R 7 represents: a cycloalkyl group which may be unsubstituted or substituted by one or more halogen atoms or alkyl, hydroxy, alkylenedioxy, alkoxy, amino, mono- or di-alkylamino, alkylamido, nitro, cyano or trifluoromethyl groups; a phenyl group which may be unsubstituted or substituted by one or more halogen atoms or alkyl, hydroxy, alkylenedioxy, alkoxy, amino, mono- or di-alkylamino, nitro, cyano or trifluoromethyl groups; or a 3 to 7-membered ring comprising from 1 to 4 heteroatoms selected from nitrogen, oxygen and sulphur, which ring may be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, phenyl, alkoxycarbonyl, amino, mono-alkylamino, di-alkylamino or hydroxycarbonyl groups or one or more alkyl groups which may be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, hydroxyalkoxy, phenyl, alkoxycarbonyl, amino, mono- or di-alkylamino or hydroxycarbonyl groups; or a pharmaceutically acceptable salt thereof; processes for their preparation, pharmaceutical compositions containing them and their use as PDE 5 inhibitors.

  8-苯基-6,9-二氢-[1,2,4]三唑[3,4-i]嘧啶-5-酮衍生物的化学式（I）如下： 其中： R1、R2和R3各自独立表示：氢；未取代或取代的烷基基团，取代基可以是羟基、烷氧基、烷基硫基、氨基、单烷基或双烷基氨基、羟基羰基、烷氧羰基、酰胺基、氨基甲酰基或烷基甲酰基基团；或者化学式—(CH2)n—R6的基团，其中n是从0到4的整数，R6表示：环烷基基团；苯基基团，可以未取代或取代，取代基可以是一个或多个卤素原子或烷基、羟基、烷基二氧基、烷氧基、氨基、单烷基或双烷基氨基、硝基、氰基或三氟甲基基团；或者由1到4个异原子（氮、氧和硫）组成的3到7元环，该环可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、苯基、烷氧羰基、氨基、单烷基氨基、双烷基氨基或羟基羰基基团或一个或多个烷基基团，该烷基基团可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、羟基烷氧基、苯基、烷氧羰基、氨基、单烷基或双烷基氨基或羟基羰基基团； R4和R5可以与它们连接的氮原子一起形成一个由1到4个异原子（氮、氧和硫）组成的3到7元环，该环可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、氧代烷基、氨基甲酰基、羟基羰基、烷氧羰基、三氟乙酰基、氨基、单烷基或双烷基氨基基团或一个烷基、烯基或炔基基团，该基团可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、羟基烷氧基、氨基或单烷基或双烷基氨基基团，或者R4和R5各自独立表示氢、酰胺基团或未取代或取代的烷基、烯基或炔基基团，取代基可以是一个或多个卤素原子或羟基、烷氧基、烷基硫基、氨基、单烷基或双烷基氨基基团，或者R4表示氢或烷基基团，R5表示化学式—(CH2)n—R7的基团，其中n是从0到4的整数，R7表示：环烷基基团，可以未取代或取代，取代基可以是一个或多个卤素原子或烷基、羟基、烷基二氧基、烷氧基、氨基、单烷基或双烷基氨基、烷基酰胺基、硝基、氰基或三氟甲基基团；苯基基团，可以未取代或取代，取代基可以是一个或多个卤素原子或烷基、羟基、烷基二氧基、烷氧基、氨基、单烷基或双烷基氨基、硝基、氰基或三氟甲基基团；或者由1到4个异原子（氮、氧和硫）组成的3到7元环，该环可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、苯基、烷氧羰基、氨基、单烷基氨基、双烷基氨基或羟基羰基基团或一个或多个烷基基团，该烷基基团可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、羟基烷氧基、苯基、烷氧羰基、氨基、单烷基或双烷基氨基或羟基羰基基团； 或其药学上可接受的盐；它们的制备方法、含有它们的药物组合物以及它们作为PDE 5抑制剂的用途。
• 8-PHENYL-6,9-DIHYDRO- 1,2,4]TRIAZOLO 3,4- i i /i ]PURIN-5-ONE DERIVATIVES
  申请人：Almirall Prodesfarma, S.A.

  公开号：EP1198464A1

  公开（公告）日：2002-04-24
• 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES
  申请人：Almirall Prodesfarma, S.A.

  公开号：EP1198464B1

  公开（公告）日：2003-10-08
• US7034016B2
  申请人：——

  公开号：US7034016B2

  公开（公告）日：2006-04-25
• [EN] 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES<br/>[FR] DERIVES DE 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURINE-5-ONE
  申请人：ALMIRALL PRODESFARMA SA

  公开号：WO2001007441A1

  公开（公告）日：2001-02-01

  8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives of formula (I) or a pharmaceutically acceptable salt thereof; processes for their preparation, pharmaceutical compositions containing them and their use as PDE 5 inhibitors.