N-methyl-2-propylcyclohexanamine | 252854-43-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-methyl-2-propylcyclohexanamine
• 英文别名: N-methyl-2-propylcyclohexan-1-amine
• CAS: 252854-43-6
• 化学式: C₁₀H₂₁N
• 分子量: 155.283
• InChiKey: UEKBSARWTFIGRW-UHFFFAOYSA-N

物化性质

• 沸点：
  194.0±8.0 °C(Predicted)
• 密度：
  0.84±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-methyl-2-propylcyclohexanamine 在 四(三苯基膦)钯 、 乙醇 、 氢气 、 sodium hexamethyldisilazane 、 sodium carbonate 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， -78.0~100.0 ℃ 、344.75 kPa 条件下， 反应 40.5h， 生成 5-cyclopropyl-1-(3-(3-(methyl(2-propylcyclohexyl)carbamoyl)cyclohexyl)phenyl)-1H-pyrazole-4-carboxylic acid
  参考文献：
  名称：

  [EN] ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS
  [FR] PYRAZOLES D'ARYLCYCLOHÉXYLE UTILISÉS EN TANT QUE RÉGULATEURS DE NRF2

  摘要：

  这项发明涉及芳基环己基吡唑化合物，制备方法，含有它们的药物组合物以及它们作为NRF2调节剂的用途。

  公开号：

  WO2017060855A1
• 作为产物：
  描述：

  2-丙基环己酮 、 甲胺 在 溶剂黄146 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 18.0h， 生成 N-methyl-2-propylcyclohexanamine
  参考文献：
  名称：

  Discovery of CP-690,550: A Potent and Selective Janus Kinase (JAK) Inhibitor for the Treatment of Autoimmune Diseases and Organ Transplant Rejection

  摘要：

  There is a critical need for safer and more convenient treatments for organ transplant rejection and autoimmune disorders such as rheumatoid arthritis. Janus tyrosine kinases (JAK1, JAK3) are expressed in lymphoid cells and are involved in the signaling of multiple cytokines important for various T cell functions. Blockade of the JAK1/JAK3-STAT pathway with a small molecule was anticipated to provide therapeutic immunosuppression/immunomodulation. The Pfizer compound library was screened against the catalytic domain of JAK3 resulting in the identification of a pyrrolopyrimidine-based series of inhibitors represented by CP-352,664 (2a). Synthetic analogues of 2a were screened against the JAK enzymes and evaluated in an IL-2 induced T cell blast proliferation assay. Select compounds were evaluated in rodent efficacy models of allograft rejection and destructive inflammatory arthritis. Optimization within this chemical series led to identification of CP-690,550 1, a potential first-in-class JAK inhibitor for treatment of autoimmune diseases and organ transplant rejection.

  DOI：

  10.1021/jm1004286

文献信息

• Pyrrolo[2,3-d]pyrimidine compounds
  申请人：——

  公开号：US20020019526A1

  公开（公告）日：2002-02-14

  A compound of the formula 1 wherein R 1 , R 2 and R 3 are as defined above, which are inhibitors of the enzyme protein tyrosine kinases such as Janus Kinase 3 and as such are useful therapy as immunosuppressive agents for organ transplants, lupus, multiple sclerosis, rheumatoid arthritis, psoriasis, Type I diabetes and complications from diabetes, cancer, asthma, atopic dermatitis, autoimmune thyroid disorders, ulcerative colitis, Crohn's disease, Alzheimer's disease, Leukemia and other autoimmune diseases.

  一种化合物的结构式，其中R1、R2和R3如上所定义，它们是蛋白酪氨酸激酶的抑制剂，如Janus激酶3，因此可作为免疫抑制剂用于器官移植、狼疮、多发性硬化、类风湿性关节炎、牛皮癣、1型糖尿病和糖尿病并发症、癌症、哮喘、特应性皮炎、自身免疫性甲状腺疾病、溃疡性结肠炎、克罗恩病、阿尔茨海默病、白血病和其他自身免疫疾病的治疗。
• Pyrrolo [2,3-D] pyrimidine compounds
  申请人：Pfizer Inc.

  公开号：US20030212273A1

  公开（公告）日：2003-11-13

  A compound of the formula 1 wherein R 1 , R 2 and R 3 are as defined above, which are inhibitors of the enzyme protein tyrosine kinases such as Janus Kinase 3 and as such are useful therapy as immunosuppressive agents for organ transplants, lupus, multiple sclerosis, rheumatoid arthritis, psoriasis, Type I diabetes and complications from diabetes, cancer, asthma, atopic dermatitis, autoimmune thyroid disorders, ulcerative colitis, Crohn's disease, Alzheimer's disease, Leukemia and other autoimmune diseases.

  化合物的公式为1，其中R1，R2和R3的定义如上所述，它们是蛋白酪氨酸激酶的抑制剂，例如Janus Kinase 3，并且作为免疫抑制剂用于器官移植，狼疮，多发性硬化症，类风湿性关节炎，牛皮癣，1型糖尿病和糖尿病并发症，癌症，哮喘，特应性皮炎，自身免疫性甲状腺疾病，溃疡性结肠炎，克罗恩病，阿尔茨海默病，白血病和其他自身免疫性疾病的有用治疗方法。
• COMPOUND CONTAINING BASIC GROUP AND USE THEREOF
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1790639A1

  公开（公告）日：2007-05-30

  The present invention relates to a compound represented by formula (I-0): wherein symbols in formula have the same meanings as described in the present specification, a salt thereof, an N-oxide thereof or a solvate thereof or a prodrug thereof, and medical use thereof The compound of the present invention has an antagonistic activity against CXCR4 and is therefore useful as a preventive and/or therapeutic agent for CXCR4-mediated diseases, for example, inflammatory and immune diseases (for example, rheumatoid arthritis, arthritis, retinopathy, pulmonary fibrosis, transplanted organ rejection, etc.), allergic diseases, infections (for example, human immunodeficiency virus infection, acquired immunodeficiency syndrome, etc.), psychoneurotic diseases, cerebral diseases, cardiovascular disease, metabolic diseases, and cancerous diseases (for example, cancer, cancer metastasis, etc.), or an agent for regeneration therapy.

  本发明涉及一种由式（I-0）表示的化合物： 其中式中符号的含义与本说明书中所述的相同、其盐、其 N-氧化物或其溶解物或其原药，以及其医疗用途 本发明的化合物对 CXCR4 具有拮抗活性，因此可用作 CXCR4 介导的疾病的预防和/或治疗剂，例如炎症性和免疫性疾病（如类风湿性关节炎、关节炎、视网膜病变、肺纤维化、移植器官排斥等）、过敏性疾病、感染、疾病性溃疡、溃疡性结肠炎等。)、过敏性疾病、感染（例如人类免疫缺陷病毒感染、获得性免疫缺陷综合征等）、精神神经疾病、脑部疾病、心血管疾病、代谢性疾病和癌症疾病（例如癌症、癌症转移等），或再生治疗剂。
• LANOSTEROL PRODRUG COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：Zhongshan Ophthalmic Center, Sun Yat-Sen University

  公开号：EP3536698A1

  公开（公告）日：2019-09-11

  Disclosed are a lanosterol prodrug compound, a pharmaceutically acceptable salt and an isomer thereof, and a pharmaceutical composition comprising the lanosterol prodrug compound and the use thereof in the preparation of a drug for treating cataracts. The lanosterol prodrug compound has a better permeability than lanosterol.

  本发明公开了一种羊毛甾醇原药化合物、其药学上可接受的盐和异构体，以及包含羊毛甾醇原药化合物的药物组合物及其在制备治疗白内障的药物中的用途。羊毛甾醇原药化合物比羊毛甾醇具有更好的渗透性。
• Arylcyclohexyl pyrazoles as NRF2 regulators
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：US10351530B2

  公开（公告）日：2019-07-16

  The present invention relates to arylcyclohexyl pyrazole compounds of Formula (I) methods of making them, pharmaceutical compositions containing them and their use as NRF2 regulators.

  本发明涉及式 (I) 的芳基环己基吡唑化合物 的制造方法、含有它们的药物组合物以及它们作为 NRF2 调节剂的用途。