(+)-trans-1-(4-Aminomethyl-cyclohexyl)-ethanol | 1379351-00-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (+)-trans-1-(4-Aminomethyl-cyclohexyl)-ethanol
• 英文别名: 1-[4-(aminomethyl)cyclohexyl]ethanol
• CAS: 1379351-00-4
• 化学式: C₉H₁₉NO
• 分子量: 157.256
• InChiKey: UWXOEBHRUJZPDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(3-cyano-4-fluoro-phenoxy)-nicotinic acid 、 (+)-trans-1-(4-Aminomethyl-cyclohexyl)-ethanol 生成 (-)-2-(3-Cyano-4-fluoro-phenoxy)-N-[4-(1-hydroxy-ethyl)-cyclohexylmethyl]-nicotinamide
  参考文献：
  名称：

  Nicotinamide derivatives

  摘要：

  一种具有式（I）的化合物，其中m、n、o、p、q、r、A、B、D、E、R1、R2、R3、R4、R5、R6、R7和R8如描述中所定义，在治疗呼吸系统、过敏、类风湿、体重调节、炎症和中枢神经系统疾病方面有用，如哮喘、慢性阻塞性肺疾病、成人呼吸系统疾病综合征、休克、纤维化、肺部过敏、过敏性鼻炎、特应性皮炎、牛皮癣、体重控制、类风湿性关节炎、虚弱、克罗恩病、溃疡性结肠炎、关节炎症状和其他炎症性疾病、抑郁症、多发性梗塞性痴呆和艾滋病的治疗。

  公开号：

  US06380218B1

文献信息

• Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes
  申请人：Pfizer Inc.

  公开号：US20020123520A1

  公开（公告）日：2002-09-05

  Compounds useful as inhibitors of PDE4 in the treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease, of the formula: 1 where j is 0 or 1 provided that when j is 0, n must be 2; k is 0 or 1; m is 0, 1, 2, or 3; n is 1 or 2; W 1 is —O—; or —S(═O)t—, where t is 0, 1, or 2; or —N(R 3 )—; W 2 is —CR A R B or is absent; Y is ═C(R 1 a )— or —[N (O) k ]— where k is 0 or 1; R A and R B are —H; —F; —CF 3 ; —(C 1 -C 4 ) alkyl; —(C 3 -C 7 ) cycloalkyl; phenyl; or benzyl substituted with 0 to 3 substituents R 10 ; or R A and R B are taken together, but only in the case where m is 1, to form a spiro moiety; R C and R D have the same meaning as R A and R B except that one of them must be —H, R 1 and R 2 are —H; —F; —Cl; —CN; —N O 2 ; —(C 1 -C 4 ) alkyl; —(C 2 -C 4 ) alkynyl; fluorinated —(C 1 -C 3 ) alkyl; —OR 16 ; and —C(═O)NR 22 a R 22 b ; R 3 is —H; —(C 1 -C 3 ) alkyl; phenyl; benzyl; or —OR 16 ; R 4 , R 5 and R 6 in addition to other meanings may be taken together to form, e.g., 2 G 1 is a saturated or unsaturated carbon ring system that is a 3- to 7-membered monocyclic, or that is a 7- to 12-membered, fused polycyclic; provided that G 1 is not a discontinuous or restricted biaryl moiety as defined under G 2 ; where optionally one carbon atom may be replaced by a heteroatom selected from N, O, and S; where optionally a second carbon atom thereof, and further optionally a third carbon atom thereof may be replaced by N; —G 2 is a saturated or unsaturated carbon ring system that is a 3- to 7-membered monocyclic; or that is a 7- to 12-membered, fused polycyclic; or that is a 7- to 18-membered discontinuous or restricted biaryl moiety; wherein for each of the carbon ring systems recited, optionally one carbon atom of said carbon ring system may be replaced by a heteroatom selected from N, O, and S; where optionally a second carbon atom thereof, and further optionally a third carbon atom thereof may be replaced by N; and E is selected from: 3

  在治疗受嗜酸性粒细胞活化和脱颗粒调节的疾病，特别是哮喘、慢性支气管炎和慢性阻塞性肺病时，可用作 PDE4 抑制剂的化合物，其式如下： 1 其中 j 为 0 或 1，但当 j 为 0 时，n 必须为 2；k 为 0 或 1；m 为 0、1、2 或 3；n 为 1 或 2；W 1 是-O-；或 -S（&boxH；O）t-，其中 t 是 0、1 或 2；或 -N（R 3 )-; W 2 是-CR A R B 或不存在；Y 是 &boxH ；C(R 1 a )-或-[N (O) k 其中 k 为 0 或 1；R A 和 R B 为-H；-F；-CF 3 ; -(C 1 -C 4 烷基；-(C 3 -C 7 环烷基；苯基；或被 0 至 3 个取代基取代的苄基 R 10 或 R A 和 R B 一起形成一个螺分子，但仅限于 m 为 1 的情况；R C 和 R D 与 R A 和 R B 的含义相同，只是其中一个必须是-H，R 1 和 R 2 是-H；-F；-Cl；-CN；-N O 2 ; -(C 1 -C 4 烷基；-(C 2 -C 4 )炔基；氟化-(C 1 -C 3 烷基；-OR 16 和-C(═O)NR 22 a R 22 b ; R 3 是-H；-(C 1 -C 3 烷基；苯基；苄基；或-OR 16 ; R 4 , R 5 和 R 6 除其他含义外，还可共同组成，如 2 G 1 是饱和或不饱和碳环系统，是 3 至 7 元单环，或 7 至 12 元融合多环；条件是 G 1 不是 G 2 所定义的不连续或受限的双芳基分子。 2 其中一个碳原子可任选被选自 N、O 和 S 的杂原子取代；其中第二个碳原子和第三个碳原子可任选被 N 取代； -G 2 2 是饱和或不饱和碳环系统，是 3 至 7 元单环；或 7 至 12 元融合多环；或 7 至 18 元不连续或受限双芳基；其中，对于所述的每个碳环系统，所述碳环系统的一个碳原子可任选被选自 N、O 和 S 的杂原子取代；其中的第二个碳原子和第三个碳原子可任选被 N 取代；E 选自： 3
• Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes
  申请人：——

  公开号：US20030130254A1

  公开（公告）日：2003-07-10

  Compounds useful as inhibitors of PDE4 in the treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease, of the formula: 1 where j is 0 or 1 provided that when j is 0, n must be 2; k is 0 or 1; m is 0, 1, 2, or 3; n is 1 or 2; W 1 is —O—; or —S(═O) t —, where t is 0, 1, or 2; or —N(R 3 )—; W 2 is —O—CR A R B — or is absent; Y is ═C(R 1 a )— or —[N (O) k ]— where k is 0 or 1; R A and R B are —H; —F; —CF 3 ; —(C 1 -C 4 )alkyl; —(C 3 -C 7 )cycloalkyl; phenyl; or benzyl substituted with 0 to 3 substituents R 10 ; or R A and R B are taken together, but only in the case where m is 1, to form a spiro moiety; R C and R D have the same meaning as R A and R B except that one of them must be —H, R 1 and R 2 are —H; —F; —Cl; —CN; —NO 2 ; —(C 1 -C 4 )alkyl; —(C 2 -C 4 )alkynyl; fluorinated-(C 1 -C 3 )alkyl; —OR 16 ; and —C(═O)NR 22 a R 22 b ; R 3 is —H; —(C 1 -C 3 )alkyl; phenyl; benzyl; or —OR 16 ; R 4 , R 5 and R 6 in addition to other meanings may be taken together to form, e.g., 2 G 1 is a saturated or unsaturated carbon ring system that is a 3- to 7-membered monocyclic, or that is a 7- to 12-membered, fused polycyclic; provided that G 1 is not a discontinuous or restricted biaryl moiety as defined under G 2 ; where optionally one carbon atom may be replaced by a heteroatom selected from N, O, and S; where optionally a second carbon atom thereof, and further optionally a third carbon atom thereof may be replaced by N; -G 2 is a saturated or unsaturated carbon ring system that is a 3- to 7-membered monocyclic; or that is a 7- to 12-membered, fused polycyclic; or that is a 7- to 18-membered discontinuous or restricted biaryl moiety; wherein for each of the carbon ring systems recited, optionally one carbon atom of said carbon ring system may be replaced by a heteroatom selected from N, O, and S; where optionally a second carbon atom thereof, and further optionally a third carbon atom thereof may be replaced by N; and E is selected from: 3

  在治疗受嗜酸性粒细胞活化和脱颗粒调节的疾病，特别是哮喘、慢性支气管炎和慢性阻塞性肺病时，可用作 PDE4 抑制剂的化合物，其式如下： 1 其中 j 为 0 或 1，但当 j 为 0 时，n 必须为 2； k 为 0 或 1； m 为 0、1、2 或 3； n 为 1 或 2； W 1 是-O-；或-S(═O) t -，其中 t 是 0、1 或 2；或 -N(R 3 )-; W 2 是-O-CR A R B - 或不存在；Y 是 &boxH ；C(R 1 a )-或-[N (O) k 其中 k 为 0 或 1；R A 和 R B 为-H；-F；-CF 3 ; -(C 1 -C 4 烷基；-(C 3 -C 7 )环烷基；苯基；或被 0 至 3 个取代基取代的苄基 R 10 或 R A 和R B 一起形成一个螺分子，但仅限于 m 为 1 的情况；R C 和 R D 与 R A 和 R B 的含义相同，只是其中一个必须是-H，R 1 和 R 2 是-H；-F；-Cl；-CN；-NO 2 ; -(C 1 -C 4 烷基 2 -C 4 )炔基；氟化-(C 1 -C 3 烷基 16 和-C(═O)NR 22 a R 22 b ; R 3 是-H；-(C 1 -C 3 烷基；苯基；苄基；或-OR 16 ; R 4 , R 5 和 R 6 除其他含义外，还可共同组成，如 2 G 1 是饱和或不饱和碳环系统，是 3 至 7 元单环，或 7 至 12 元融合多环；条件是 G 1 不是 G 2 所定义的不连续或受限的双芳基分子。 2 其中一个碳原子可任选被选自 N、O 和 S 的杂原子取代；其中第二个碳原子和第三个碳原子可任选被 N 取代； -G 2 2 是饱和或不饱和碳环系统，是 3 至 7 元单环；或 7 至 12 元融合多环；或 7 至 18 元不连续或受限双芳基；其中，对于所述的每个碳环系统，所述碳环系统的一个碳原子可任选被选自 N、O 和 S 的杂原子取代；其中的第二个碳原子和第三个碳原子可任选被 N 取代；E 选自： 3
• Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes
  申请人：——

  公开号：US20030186974A1

  公开（公告）日：2003-10-02

  Compounds useful as inhibitors of PDE4 in the treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease, of the formula: 1 where j is 0 or 1 provided that when j is 0, n must be 2; k is 0 or 1; m is 0, 1, 2, or 3; n is 1 or 2; W 1 is —O—; or —S(+O) t —, where t is 0, 1, or 2; or —N(R 3 )—; W 2 is —O—CR A R B — or is absent; Y is ═C(R 1 a , or —[N (O) k ]— where k is 0 or 1; R A and R B are —H; —F; —CF 3 ; —(C 1 -C 4 )alkyl; —(C 3 -C 7 )cycloalkyl; phenyl; or benzyl substituted with 0 to 3 substituents R 10 ; or R A and R B are taken together, but only in the case where m is 1, to form a spiro moiety; R C and R D have the same meaning as R A and R B except that one of them must be —H, R 1 and R 2 are —H; —F; —Cl; —CN; —NO 2 ; —(C 1 -C 4 )alkyl; —(C 2 -C 4 )alkynyl; fluorinated —(C 1 -C 3 )alkyl; —OR 16 ; and —C(═O)NR 22 a R 22 b ; R 3 is —H; —(C 1 -C 3 )alkyl; phenyl; benzyl; or —OR 16 ; R 4 , R 5 and R 6 in addition to other meanings may be taken together to form, e.g., 2 G 1 is a saturated or unsaturated carbon ring system that is a 3- to 7-membered monocyclic, or that is a 7- to 12-membered, fused polycyclic; provided that G 1 is not a discontinuous or restricted biaryl moiety as defined under G 2 ; where optionally one carbon atom may be replaced by a heteroatom selected from N, O, and S; where optionally a second carbon atom thereof, and further optionally a third carbon atom thereof may be replaced by N; -G 2 is a saturated or unsaturated carbon ring system that is a 3- to 7-membered monocyclic; or that is a 7- to 12-membered, fused polycyclic; or that is a 7- to 18-membered discontinuous or restricted biaryl moiety; wherein for each of the carbon ring systems recited, optionally one carbon atom of said carbon ring system may be replaced by a heteroatom selected from N, O, and S; where optionally a second carbon atom thereof, and further optionally a third carbon atom thereof may be replaced by N; and E is selected from: 3

  在治疗受嗜酸性粒细胞活化和脱颗粒调节的疾病，特别是哮喘、慢性支气管炎和慢性阻塞性肺病时，可用作 PDE4 抑制剂的化合物，其式如下： 1 其中 j 为 0 或 1，但当 j 为 0 时，n 必须为 2； k 为 0 或 1； m 为 0、1、2 或 3； n 为 1 或 2； W 1 是-O-；或-S（+O） t -，其中 t 是 0、1 或 2；或 -N（R 3 )-; W 2 是-O-CR A R B - 或不存在；Y 是 &boxH ；C(R 1 a 或-[N (O) k 其中 k 为 0 或 1；R A 和 R B 为-H；-F；-CF 3 ; -(C 1 -C 4 烷基；-(C 3 -C 7 )环烷基；苯基；或被 0 至 3 个取代基取代的苄基 R 10 或 R A 和R B 一起形成一个螺分子，但仅限于 m 为 1 的情况；R C 和 R D 与 R A 和 R B 的含义相同，只是其中一个必须是-H，R 1 和 R 2 是-H；-F；-Cl；-CN；-NO 2 ; -(C 1 -C 4 烷基 2 -C 4 )炔基；氟化-(C 1 -C 3 烷基 16 和-C(═O)NR 22 a R 22 b ; R 3 是-H；-(C 1 -C 3 烷基；苯基；苄基；或-OR 16 ; R 4 , R 5 和 R 6 除其他含义外，还可共同组成，如 2 G 1 是饱和或不饱和碳环系统，是 3 至 7 元单环，或 7 至 12 元融合多环；条件是 G 1 不是 G 2 所定义的不连续或受限的双芳基分子。 2 其中一个碳原子可任选被选自 N、O 和 S 的杂原子取代；其中第二个碳原子和第三个碳原子可任选被 N 取代； -G 2 2 是饱和或不饱和碳环系统，是 3 至 7 元单环；或 7 至 12 元融合多环；或 7 至 18 元不连续或受限双芳基；其中，对于所述的每个碳环系统，所述碳环系统的一个碳原子可任选被选自 N、O 和 S 的杂原子取代；其中的第二个碳原子和第三个碳原子可任选被 N 取代；E 选自： 3
• NICOTINAMIDE DERIVATIVES
  申请人：Pfizer Products Inc.

  公开号：EP0971894A1

  公开（公告）日：2000-01-19
• THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES
  申请人：Pfizer Products Inc.

  公开号：EP1355907A1

  公开（公告）日：2003-10-29