trans-4-aminomethyl-1-(pyridin-4-ylcarbamoyl)cyclohexane | 123129-72-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: trans-4-aminomethyl-1-(pyridin-4-ylcarbamoyl)cyclohexane
• 英文别名: trans-4-aminomethyl-1-(4-pyridylcarbamoyl)cyclohexane
• CAS: 123129-72-6
• 化学式: C₁₃H₁₉N₃O
• 分子量: 233.313
• InChiKey: SLRGZZIYYHTKSM-XYPYZODXSA-N

物化性质

• 沸点：
  461.8±15.0 °C(Predicted)
• 密度：
  1.149±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.93
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  68.01
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 trans-4-aminomethyl-1-(pyridin-4-ylcarbamoyl)cyclohexane 在 sodium hydroxide 、 甲酸 、 potassium carbonate 作用下， 以 ice-water 、 乙醇 为溶剂， 生成 trans-4-dimethylaminomethyl-1-(pyridin-4-ylcarbamoyl)cyclohexane
  参考文献：
  名称：

  Trans-4-amino(alkyl)-1-pyridylcarbamoylcyclohexane compounds and pharmaceutical use thereof

  摘要：

  一种化合物，化学式为trans-4-氨基(烷基)-1-吡啶基甲酰环己烷，其中R¹和R²相同或不同，分别代表氢、C₁₋₁₀烷基、C₂₋₅烷酰基、甲酰基、C₁₋₄烷氧基甲酰基、胺基甲酰基、C₃₋₇环烷基、C₃₋₇环烷基甲酰基、苯基、苯基烷基、苯甲酰基、萘甲酰基、苯基烷氧基甲酰基、苄亚甲基、吡啶基甲酰基、哌啶基、吡咯啉亚甲基或哌咯啉亚甲基，可能在环上替代，或R¹和R²与相邻氮原子一起形成含有氧原子、硫原子或可选择替代氮原子的5至6元环，或与相邻氮原子一起形成邻苯二甲酰亚基，R³代表氢或C₁₋₄烷基，R⁴代表氢或C₁₋₄烷基，R⁵代表氢、羟基C₁₋₄烷基或苯基氧基，R⁶代表氢或C₁₋₄烷基，A代表单键，C₁₋₅直链烷基，或被C₁₋₄烷基取代的烷基，n代表0至1，其光学异构体及其药学上可接受的酸盐。这些化合物具有降压活性，以及改善冠脉、脑和肾循环的活性，可用作降压剂和循环疾病的预防和治疗剂。

  公开号：

  EP0370498A3

文献信息

• Trans-4-amino(alkyl)-1-pyridylcarbamoylcyclohexane compounds and
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：US04997834A1

  公开（公告）日：1991-03-05

  A trans-4-amino(alkyl)-1-pyridylcarbamoylcyclohexane compound of the formula: ##STR1## wherein R.sup.1 and R.sup.2 are the same or different, and respectively represent hydrogen, C.sub.1-10 alkyl, C.sub.2-5 alkanoyl, formyl, C.sub.1-4 alkoxy-carbonyl, amidino, C.sub.3-7 cycloalkyl, C.sub.3-7 cycloalkylcarbonyl, phenyl, phenylalkyl, benzoyl, naphthoyl, phenylalkoxycarbonyl, benzylidene, pyridylcarbonyl, piperidyl, pyrrolidylidene or piperidylidene which may be optionally substituted on the ring or R.sup.1 and R.sup.2 together with the adjacent nitrogen atom form 5 to 6-membered cycle which may have oxygen atom, sulfur atom or optionally substituted nitrogen atom in the cycle, or together with the adjacent nitrogen atom form phthalimido, R.sup.3 represents hydrogen or C.sub.1-4 alkyl, R.sup.4 represents hydrogen or C.sub.1-4 alkyl, R.sup.5 represents hydrogen, hydroxy, C.sub.1-4 alkyl or phenylalkoxy. R.sup.6 represents hydrogen or C.sub.1-4 alkyl, A represents single bond, C.sub.1-5 straight chain alkylene, or alkylene which is substituted by C.sub.1-4 alkyl, n represents 0 to 1, an optical isomer thereof and a pharmaceutically acceptable acid addition salt thereof. These compounds possess antihypertensive activity, and coronary, cerebral and kidney circulation-improving activities and are useful as antihypertensive agents and agents for prevention and treatment of circulatory diseases.

  一种具有下列结构式的trans-4-氨基（烷基）-1-吡啶基氨基甲酰环己烷化合物：其中R.sup.1和R.sup.2相同或不同，分别代表氢、C.sub.1-10烷基、C.sub.2-5烷酰基、甲酰基、C.sub.1-4烷氧羰基、胺基、C.sub.3-7环烷基、C.sub.3-7环烷基羰基、苯基、苯基烷基、苯甲酰基、萘甲酰基、苯基烷氧羰基、苄亚甲基、吡啶基甲酰基、哌啶基、吡咯啉亚甲基或哌咯啉亚甲基，该环可能在环上可选择地取代，或者R.sup.1和R.sup.2与相邻氮原子一起形成5到6成员环，该环中可能含有氧原子、硫原子或可选择地取代的氮原子，或者与相邻氮原子一起形成邻苯二甲酰亚胺，R.sup.3代表氢或C.sub.1-4烷基，R.sup.4代表氢或C.sub.1-4烷基，R.sup.5代表氢、羟基、C.sub.1-4烷基或苯基氧基。R.sup.6代表氢或C.sub.1-4烷基，A代表单键，C.sub.1-5直链烷基，或者被C.sub.1-4烷基取代的烷基，n代表0到1，其光学异构体及其药学上可接受的酸盐。这些化合物具有降压活性，以及改善冠状、脑和肾循环的活性，并且可用作降压剂和用于预防和治疗循环疾病的药剂。
• Preventives/remedies for kidney diseases
  申请人：——

  公开号：US20030096843A1

  公开（公告）日：2003-05-22

  A compound having a Rho kinase inhibitory activity, such as (+)-trans-4-(1-aminoethyl)-1-(4-pyridylcarbamoyl)-cyclohexane, has a renal interstitial fibrosis inhibitory action in renal interstitial fibrosis model mice and various other actions, and therefore, is useful as an agent for the prophylaxis or treatment of renal diseases.

  具有Rho激酶抑制活性的化合物，例如（+）-trans-4-(1-氨乙基)-1-(4-吡啶基氨甲酰基)-环己烷，对于肾间质纤维化模型小鼠具有肾间质纤维化抑制作用和其他各种作用，因此，可用作预防或治疗肾脏疾病的药物。
• Agent for prophylaxis and treatment of glaucoma
  申请人：——

  公开号：US20030125351A1

  公开（公告）日：2003-07-03

  An agent for the prophylaxis and treatment of glaucoma, which contains a compound having a Rho kinase inhibitory activity, particularly an agent for the prophylaxis and treatment of glaucoma, which contains a compound of the formula (I) 1 wherein each symbol is as defined in the specification, as the compound having a Rho kinase inhibitory activity, is provided. The agent for the prophylaxis and treatment of glaucoma of the present invention is a novel agent for the prophylaxis and treatment of glaucoma and has intraocular pressure lowering action, optic disc blood flow improving action and aqueous humor outflow promoting action.

  一种预防和治疗青光眼的药剂，其中包含一种具有Rho激酶抑制活性的化合物，特别是一种预防和治疗青光眼的药剂，其中包含式（I）1的化合物，其中每个符号如规范中所定义，作为具有Rho激酶抑制活性的化合物。本发明的预防和治疗青光眼的药剂是一种新型的预防和治疗青光眼的药剂，具有降低眼内压、改善视盘血流和促进房水排出的作用。
• Antitumor effect potentiators
  申请人：——

  公开号：US20030165576A1

  公开（公告）日：2003-09-04

  When used concurrently with an antitumor agent, a compound having a Rho kinase inhibitory activity, such as (R)-(+)-N-(4-pyridyl)-4-(1-aminoethyl)benzamide, reinforces an antitumor effect of the antitumor agent and is useful as an antitumor effect potentiator. Particularly, a compound having a Rho kinase inhibitory activity used with an antitumor agent in combination can reduce the dose of the antitumor agent, which in turn affords provision of a sufficient effect and/or reduction of side effects.

  当与抗肿瘤药物同时使用时，具有Rho激酶抑制活性的化合物，如(R)-(+)-N-(4-吡啶基)-4-(1-氨乙基)苯甲酰胺，可以增强抗肿瘤药物的抗肿瘤效果，并且可用作抗肿瘤效应增强剂。特别是，与抗肿瘤药物联合使用具有Rho激酶抑制活性的化合物可以降低抗肿瘤药物的剂量，从而提供足够的疗效和/或减少副作用。
• Kinase inhibitors
  申请人：Leysen Casimir Maria Dirk

  公开号：US20070191420A1

  公开（公告）日：2007-08-16

  The invention provides the use of a compound or a composition comprising said compound for inhibiting the activity of at least one kinase, other than ROCK kinase, in vitro or in vivo, pharmaceutical and/or veterinary compositions comprising such compounds, medical and veterinary uses of such compounds and the compounds themselves.

  本发明提供了使用一种化合物或含有该化合物的组合物来抑制体外或体内至少一种激酶的活性（ROCK激酶除外），以及含有该类化合物的药物和/或兽医组合物，该类化合物的医学和兽医用途以及化合物本身。