tert-Butyl cis-4-formylcyclohexylcarbamate | 181308-56-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-Butyl cis-4-formylcyclohexylcarbamate
• 英文别名: t-butyl (cis-4-formylcyclohexyl)carbamate；cis-Boc-4-aminocyclohexanecarbaldehyde
• CAS: 181308-56-5
• 化学式: C₁₂H₂₁NO₃
• 分子量: 227.304
• InChiKey: GPDBIGSFXXKWQR-AOOOYVTPSA-N

物化性质

• 沸点：
  339.5±31.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert-Butyl cis-4-formylcyclohexylcarbamate 在 盐酸 、 三乙酰氧基硼氢化钠 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Conformationally Restricted Indolopiperidine Derivatives as Potent CCR2B Receptor Antagonists

  摘要：

  The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00397-3
• 作为产物：
  描述：

  cis-4-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid methyl ester 在 N,N-二异丙基乙胺 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 tert-Butyl cis-4-formylcyclohexylcarbamate
  参考文献：
  名称：

  芳甲酰取代的三环化合物及其制法和用途

  摘要：

  本发明公开了一种对BTK具有抑制作用的芳甲酰取代的三环化合物或其药学上可接受的盐、立体异构体、溶剂合物或前药，如式I所示，式中各基团的定义详见说明书。此外，本发明还公开了包含该化合物的药物组合物，及其在制备与BTK相关和/或与B细胞活化异常相关的疾病或病症的药物中的应用。

  公开号：

  CN114478528A

文献信息

• N-substituted phenylacetamide derivative and pharmaceutical composition containing the same
  申请人：Morie Toshiya

  公开号：US20090082463A1

  公开（公告）日：2009-03-26

  The invention provides the following compound (I): wherein R 1 is methoxy group, hydroxyl group or hydrogen atom; R 2 is hydrogen atom, C 1-4 alkyl group, C 1-4 alkylcarbonyl group or arylcarbonyl group; D is a group of the following formula (A), (B), or (C). The compound is useful as a medicament for treating neuropathic pain or pain caused by various diseases such as rheumatoid arthritis and osteoarthritis, and inflammation.

  本发明提供以下化合物（I）：其中，R1是甲氧基、羟基或氢原子；R2是氢原子、C1-4烷基、C1-4烷基羰基或芳基羰基；D是下式（A）、（B）或（C）的基团。该化合物可用作治疗神经病理性疼痛或由风湿性关节炎和骨关节炎等各种疾病引起的疼痛和炎症的药物。
• N-substituted phenylacetamide derivative and pharmaceutical composition containing the same
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：US07767854B2

  公开（公告）日：2010-08-03

  The invention provides the following compound (I): wherein R1 is methoxy group, hydroxyl group or hydrogen atom; R2 is hydrogen atom, C1-4 alkyl group, C1-4 alkylcarbonyl group or arylcarbonyl group; D is a group of the following formula (A), (B), or (C). The compound is useful as a medicament for treating neuropathic pain or pain caused by various diseases such as rheumatoid arthritis and osteoarthritis, and inflammation.

  本发明提供以下化合物(I)：其中R1是甲氧基、羟基或氢原子；R2是氢原子、C1-4烷基、C1-4烷基羰基或芳基羰基；D是以下公式(A)、(B)或(C)的基团。该化合物可用作治疗神经病性疼痛或由类风湿性关节炎和骨关节炎等各种疾病引起的疼痛和炎症的药物。
• N-SUBSTITUTED PHENYLACETAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1884510A1

  公开（公告）日：2008-02-06

  The invention provides the following compound (I): wherein R1 is methoxy group, hydroxyl group or hydrogen atom; R2 is hydrogen atom, C1-4 alkyl group, C1-4 alkylcarbonyl group or arylcarbonyl group; D is a group of the following formula (A), (B), or (C). The compound is useful as a medicament for treating neuropathic pain or pain caused by various diseases such as rheumatoid arthritis and osteoarthritis, and inflammation.

  本发明提供了以下化合物 (I)： 其中 R1 是甲氧基、羟基或氢原子；R2 是氢原子、C1-4 烷基、C1-4 烷基羰基或芳基羰基；D 是下式（A）、（B）或（C）的基团。 该化合物可用作治疗神经性疼痛或各种疾病（如类风湿性关节炎和骨关节炎）和炎症引起的疼痛的药物。
• SAR development of a series of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as kappa opioid receptor antagonists. Part 2
  作者：Todd A. Brugel、Reed W. Smith、Michael Balestra、Christopher Becker、Thalia Daniels、Gerard M. Koether、Scott R. Throner、Laura M. Panko、Dean G. Brown、Ruifeng Liu、John Gordon、Matthew F. Peters

  DOI：10.1016/j.bmcl.2010.07.112

  日期：2010.9

  Further structure activity relationship studies on a previously reported 8-azabicyclo[3.2.1]octan-3-yloxy-benzamide series of potent and selective kappa opioid receptor antagonists is discussed. Modification of the pendant N-substitution to include a cyclohexylurea moiety produced analogs with greater in vitro opioid and hERG selectivity such as 12 (kappa IC50 = 172 nM, mu:kappa ratio = 93, delta:kappa ratio = >174, hERG IC50 = >33 mu M). Changes to the linker conformation and identity as well as to the benzamide ring moiety were also investigated. (c) 2010 Published by Elsevier Ltd.
• EP3929199
  申请人：——

  公开号：——

  公开（公告）日：——