axial-N,N-Dimethyl-4-tert.-butyl-cyclohexylamin | 22397-91-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: axial-N,N-Dimethyl-4-tert.-butyl-cyclohexylamin
• 英文别名: Cyclohexanamine, 4-(1,1-dimethylethyl)-N,N-dimethyl-；4-tert-butyl-N,N-dimethylcyclohexan-1-amine
• CAS: 22397-91-7
• 化学式: C₁₂H₂₅N
• 分子量: 183.337
• InChiKey: DTFQGYQYVSRQIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 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：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  axial-N,N-Dimethyl-4-tert.-butyl-cyclohexylamin 、 五氟化碘 、 1,1,2-三氯三氟乙烷（CFC-113） 以17%的产率得到
  参考文献：
  名称：

  OLAH G. A.; WELCH J., SYNTHESIS, 1977, NO 6, 419-421

  摘要：

  DOI：
• 作为产物：
  描述：

  4-tert-butyl-N,N-dimethylcyclohexaniminium perchlorate 在 硼烷-叔丁基胺 作用下， 以 异丙醇 为溶剂， 反应 24.0h， 以85%的产率得到axial-N,N-Dimethyl-4-tert.-butyl-cyclohexylamin
  参考文献：
  名称：

  Stereoselective reductions of substituted cyclohexyl and cyclopentyl carbon-nitrogen .pi. systems with hydride reagents

  摘要：

  DOI：

  10.1021/jo00168a009

文献信息

• SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY
  申请人：Northwestern University

  公开号：US20170001976A1

  公开（公告）日：2017-01-05

  Disclosed are new small molecules having a substituted quinazoline core structure and the uses thereof for modulating glucocerebrosidase activity. Also disclosed are pharmaceutical compositions comprising the small molecules or activated glucocerebrosidase conjugated to the small molecules, which compositions may be administered in methods of treating diseases or disorders associated with glucocerebrosidase activity, including neurological diseases and disorders such as Gaucher's disease and Parkinson's disease.

  公开了具有取代喹唑啉核心结构的新小分子，以及它们用于调节葡萄糖苷脂酶活性的用途。还公开了包含这些小分子或与小分子结合的激活葡萄糖苷脂酶的药物组合物，这些组合物可以用于治疗与葡萄糖苷脂酶活性相关的疾病或失调，包括神经系统疾病和失调，如戈谢病和帕金森病。
• Heterobicyclic thiophene compounds and methods of use
  申请人：Blake F. James

  公开号：US20070197537A1

  公开（公告）日：2007-08-23

  Compounds of Formula I and pharmaceutically acceptable salts thereof, are useful for inhibiting receptor tyrosine kinases and for treating disorders mediated thereby. Methods of using compounds of Formula I and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  公式I的化合物及其药用盐可用于抑制受体酪氨酸激酶，并用于治疗由此介导的疾病。公开了使用公式I的化合物及其药用盐的方法，用于体外、原位和体内诊断、预防或治疗哺乳动物细胞中的这类疾病，或相关的病理情况。
• INDOLIZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US20200399270A1

  公开（公告）日：2020-12-24

  The invention provides an indolizine compound represented by formula I or a pharmaceutically acceptable salt thereof, a preparation method and a use thereof. The indolizine compound has an inhibitory effect on wild-type and/or mutant EZH2 or EZH1, and is expected to be developed into a novel drug for anti-tumor or for the treatment of autoimmune diseases.

  该发明提供了一种由式I表示的吲哚啉化合物或其药用可接受盐，以及其制备方法和用途。该吲哚啉化合物对野生型和/或突变型EZH2或EZH1具有抑制作用，并有望被开发成一种用于抗肿瘤或治疗自身免疫疾病的新型药物。
• Sulfonamide Compounds and Uses Thereof
  申请人：Saunders O. Jeffrey

  公开号：US20070270473A1

  公开（公告）日：2007-11-22

  Compounds that modulate GHS-R are described, for examples compounds formula (I)

  描述了调节GHS-R的化合物，例如化合物公式（I）。
• Immunomodulating heterocyclic compounds
  申请人：Matthews Richard Ian

  公开号：US20070021428A1

  公开（公告）日：2007-01-25

  Compounds of formula (I) are inhibitors of CD80 and useful in immunomodulation therapy: wherein R 1 and R 3 independently represent H; F; CI; Br; —NO 2 ; —CN; C 1 -C 6 alkyl optionally substituted by F or Cl; or C 1 -C 6 alkoxy optionally substituted by F; R 4 represents a carboxylic acid group (—COOH) or an ester thereof, or —C(═O)NR 6 R 7 , —NR 7 C(═O)R 6 , —NR 7 C(═O)OR 6 , —NHC(═O)NR 7 R 6 or —NHC(═S)NR 7 R 6 wherein R 6 represents H, or a radical of formula -(Alk) m -Q wherein m is 0 or 1, Alk is an optionally substituted divalent straight or branched C 1 -C 12 alkylene, or C 2 -C 12 alkenylene, or C 2 -C 12 alkynylene radical or a divalent C 3 -C 12 carbocyclic radical, any of which radicals may contain one or more —O—, —S— or —N(R 8 )— links wherein R 8 , represents H or C 1 -C 4 alkyl, C 3 -C 4 alkenyl, C 3 -C 4 alkynyl, or C 3 -C 6 cycloalkyl, and Q represents H; —NR 9 R 10 wherein R 9 and R 10 independently represents H; C 1 -C 4 alkyl; C 3 -C 4 alkenyl; C 3 -C 4 alkynyl; C 3 -C 6 cycloalkyl; an ester group; an optionally substituted carbocyclic or heterocyclic group; or R 9 and R 10 form a ring when taken together with the nitrogen to which they are attached, which ring is optionally substituted; and R 7 represents H or C 1 -C 6 alkyl; or when taken together with the atom or atoms to which they are attached R 6 and R 7 form an optionally substituted monocyclic heterocyclic ring having 5, 6 or 7 ring atoms; and X represents a bond or a divalent radical of formula —(Z) n -(Alk)- or -(Alk)-(Z) n — wherein Z represents —O—, —S— or —NH—, Alk is as defined in relation to R 6 , and n is 0 or 1.

  式(I)的化合物是CD80的抑制剂，并且在免疫调节治疗中有用：其中R1和R3分别表示H; F; CI; Br; -NO2; -CN; C1-C6烷基，可选地被F或Cl取代; 或C1-C6烷氧基，可选地被F取代; R4表示羧酸基（-COOH）或其酯，或-C（=O）NR6R7，-NR7C（=O）R6，-NR7C（=O）OR6，-NHC（=O）NR7R6或-NHC（=S）NR7R6，其中R6表示H，或式-(Alk)m-Q的基团，其中m为0或1，Alk为可选取代的二价直链或支链C1-C12烷基，或C2-C12烯基，或C2-C12炔基基团或二价C3-C12环烷基基团，其中任何基团均可能含有一个或多个-O-，-S-或-N（R8）-链接，其中R8表示H或C1-C4烷基，C3-C4烯基，C3-C4炔基或C3-C6环烷基，Q表示H; -NR9R10，其中R9和R10独立地表示H; C1-C4烷基; C3-C4烯基; C3-C4炔基; C3-C6环烷基; 酯基; 可选取代的环烷基或杂环基; 或者当R9和R10与它们所连接的氮一起形成一个环时，该环是可选取代的; R7表示H或C1-C6烷基; 或者当它们所连接的原子或原子与R6和R7一起形成一个可选取代的有5、6或7个环原子的单环杂环时; X表示键或式-(Z)n-(Alk)-或-(Alk)-(Z)n-的二价基团，其中Z表示-O-，-S-或-NH-，Alk如在R6中所定义，n为0或1。