tert-butyl(4-(isoquinolin-5-ylamino)cyclohexyl)carbamate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: tert-butyl(4-(isoquinolin-5-ylamino)cyclohexyl)carbamate
• 英文别名: cis-N-(tert-butoxycarbonyl)-N'-(5-isoquinolyl)-1,4-cyclohexanediamine；tert-butyl N-[4-(isoquinolin-5-ylamino)cyclohexyl]carbamate
• 化学式: C₂₀H₂₇N₃O₂
• 分子量: 341.453
• InChiKey: CCONNOADEKCBQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl(4-(isoquinolin-5-ylamino)cyclohexyl)carbamate 、 Thioctic acid 在 三氟乙酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以75.5%的产率得到PT109
  参考文献：
  名称：

  治疗中枢神经系统退行性疾病或脑肿瘤的化 合物及其应用

  摘要：

  本发明涉及治疗中枢系统退行性疾病或脑肿瘤的化合物、药物组合物及其应用，该化合物具有式（）的结构，这些化合物可作为具有抗氧化作用的SGK1和JNK的双靶点抑制剂，而被制成适当的药物剂型用于中枢神经退行性疾病、脑肿瘤的治疗。式（）。

  公开号：

  CN106279136B
• 作为产物：
  描述：

  5-氨基异喹啉 、 4-N-Boc-氨基环己酮 在 sodium cyanoborohydride 、 溶剂黄146 、 sodium sulfate 作用下， 以68.3%的产率得到tert-butyl(4-(isoquinolin-5-ylamino)cyclohexyl)carbamate
  参考文献：
  名称：

  治疗中枢神经系统退行性疾病或脑肿瘤的化 合物及其应用

  摘要：

  本发明涉及治疗中枢系统退行性疾病或脑肿瘤的化合物、药物组合物及其应用，该化合物具有式（）的结构，这些化合物可作为具有抗氧化作用的SGK1和JNK的双靶点抑制剂，而被制成适当的药物剂型用于中枢神经退行性疾病、脑肿瘤的治疗。式（）。

  公开号：

  CN106279136B

文献信息

• 5-Substituted isoquinoline derivatives
  申请人：Yamada Rintaro

  公开号：US20050020623A1

  公开（公告）日：2005-01-27

  A compound represented by the following formula (1) or a salt thereof: wherein R 1 represents hydrogen atom, a halogen atom and the like; R 2 represents hydrogen atom, a halogen atom, a C 1-6 alkyl group and the like; and R 3 represents —O—X—C(A 1 )(A 11 )—C(A 2 )(A 2l )—N(A 3l )(A 3 )(X represents propylene group etc., A 11 and A 21 represent hydrogen atom, or a C 1-6 alkyl group, A 31 represents a C 1-6 alkyl group substituted with hydroxyl group, or hydrogen atom, and A 1 , A 2 , and A 3 represent hydrogen atom, a C 1-6 alkyl group and the like) and the like, which has an inhibitory activity on the phosphorylation of myosin regulatory light chain, and is useful for treatment of diseases relating to contraction of various cells and the like.

  由以下公式（1）表示的化合物或其盐： 其中R1代表氢原子、卤素原子等；R2代表氢原子、卤素原子、C1-6烷基团等；R3代表—O—X—C(A1)(A11)—C(A2)(A21)—N(A31)(A3)（X代表丙烯基等，A11和A21代表氢原子或C1-6烷基团，A31代表被羟基取代的C1-6烷基团或氢原子，A1、A2和A3代表氢原子、C1-6烷基团等）等，该化合物对肌球蛋白调节轻链的磷酸化具有抑制作用，并且对涉及各种细胞收缩等的疾病的治疗有益。
• 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP1541559A1

  公开（公告）日：2005-06-15

  A compound represented by the following formula (1) or a salt thereof: wherein R1 represents hydrogen atom, a halogen atom and the like; R2 represents hydrogen atom, a halogen atom, a C1-6 alkyl group and the like; and R3 represents -O-X-C(A1)(A11)-C(A2)(A21)-N(A31)(A3) (X represents propylene group etc., A11 and A21 represent hydrogen atom, or a C1-6 alkyl group, A31 represents a C1-6 alkyl group substituted with hydroxyl group, or hydrogen atom, and A1, A2, and A3 represent hydrogen atom, a C1-6 alkyl group and the like) and the like, which has an inhibitory activity on the phosphorylation of myosin regulatory light chain, and is useful for treatment of diseases relating to contraction of various cells and the like.

  下式（1）所代表的化合物或其盐： 其中 R1 代表氢原子、卤素原子等；R2 代表氢原子、卤素原子、C1-6 烷基等；R3 代表-O-X-C(A1)(A11)-C(A2)(A21)-N(A31)(A3) （X 代表丙烯基等）、A11和A21代表氢原子或C1-6烷基，A31代表被羟基或氢原子取代的C1-6烷基，A1、A2和A3代表氢原子、C1-6烷基等）等，对肌球蛋白调节轻链的磷酸化具有抑制活性，可用于治疗与各种细胞收缩有关的疾病等。
• Compounds for treating degenerative diseases of central nervous system or brain tumor, and uses thereof
  申请人：SUN YAT-SEN UNIVERSITY

  公开号：US10723724B2

  公开（公告）日：2020-07-28

  The present invention relates to a compound for treating a degenerative disease of central nervous system or a brain tumor, a composition and a use thereof, wherein the compound has the structure of Formula I. These compounds can be used as SGK1 and JNK dual inhibitors with antioxidant effect, which can be formulated into suitable formulations for treating a degenerative disease of central nervous system or a brain tumor.

  本发明涉及一种用于治疗中枢神经系统退行性疾病或脑肿瘤的化合物、其组合物及其用途，其中该化合物具有式 I 的结构。 这些化合物可用作具有抗氧化作用的 SGK1 和 JNK 双重抑制剂，可配制成适当的制剂用于治疗中枢神经系统退行性疾病或脑肿瘤。
• Discovery of a novel small molecule PT109 with multi-targeted effects against Alzheimer's disease in vitro and in vivo
  作者：Qiuhe Chen、Yalin Tu、Shinghung Mak、Jingkao Chen、Junfeng Lu、Chen Chen、Xiaohong Yang、Shengnan Wang、Shijun Wen、Shanshan Ma、Mingtao Li、Yifan Han、Karl Wah-Keung Tsim、Rongbiao Pi

  DOI：10.1016/j.ejphar.2020.173361

  日期：2020.9

  Alzheimer's disease (AD), which is characterized by impairment of cognitive functions, is a chronic neurodegenerative disease that mainly affects the elderly. Currently available anti-AD drugs can only offer limited symptom-relieving effects. "One-compound-Multitargeted Strategy" have been recognized as the promising way to win the war against AD. Herein we report a potential anti-AD agent PT109 with multi-functions. First, an 81-kinase screening was carried out and results showed that PT109 potently inhibited c-Jun N-terminal kinases and Serum and glucocorticoid-inducible kinase 1, which are the important signaling molecules involved in neurogenesis, neuroprotection and neuro-inflammation and mildly inhibit glycogen synthase kinase-3 beta as well as protein kinase C gamma, both are involved in AD pathological processes. In addition, in vitro studies of immunofluorescent staining and Western blot showed that PT109 might promote the neurogenesis of C17.2 cells and induce synaptogenesis in primary cultured rat hippocampal neurons. We detected and confirmed the neuroprotective effect of PT109 in cultured HT22 cells by MTT assay, dehydrogenase assay, glutathione assay and reactive oxygen species assay. Furthermore, the results of Western blot, ELISA assay and immunofluorescent staining indicated that PT109 attenuated lipopolysaccharide-induced inflammation in BV2 cells and primary astrocytes. The results of Morris water maze and Step-through test indicated that PT109 improved the spatial learning ability in APP/PS1 mice. More importantly, the in vivo pharmacokinetic parameters indicated that PT109 had better medicinal properties. Taken together, our findings suggest that PT109 may be a promising candidate for treating AD through multiple targets although further studies are ought to be conducted.
• COMPOUNDS FOR TREATING DEGENERATIVE DISEASES OF CENTRAL NERVOUS SYSTEM OR BRAIN TUMOR, AND USES THEREOF
  申请人：SUN YAT-SEN UNIVERSITY

  公开号：US20190202817A1

  公开（公告）日：2019-07-04

  The present invention relates to a compound for treating a degenerative disease of central nervous system or a brain tumor, a composition and a use thereof, wherein the compound has the structure of Formula I. These compounds can be used as SGK1 and JNK dual inhibitors with antioxidant effect, which can be formulated into suitable formulations for treating a degenerative disease of central nervous system or a brain tumor.