ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride
• 英文别名: Trans (4-Amino-cyclohexyl)-acetic acid ethyl ester hydrochloride；[4-(2-Ethoxy-2-oxoethyl)cyclohexyl]azanium;chloride
• 化学式: C₁₀H₁₉NO₂*ClH
• 分子量: 221.727
• InChiKey: KBMWRCPPPDEVSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.88
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride 在 palladium 10% on activated carbon 、 磷酸吡哆醛 、 sodium pyruvate 、 甲酸铵 作用下， 以 aq. phosphate buffer 、 乙醇 为溶剂， 反应 48.0h， 生成 (2Z)-2-(2-iodophenoxy)but-2-enoic acid
  参考文献：
  名称：

  [EN] PROCESS TO PRODUCE (1r,4r)-4-SUBSTITUTED CYCLOHEXANE-1-AMINES
  [FR] PROCÉDÉ DE PRODUCTION DE CYCLOHEXANE-1-AMINES À SUBSTITUTION (1 R,4 R)-4

  摘要：

  The invention relates to a process to produce a (1r,4r)-4-substituted cyclohexane-1-amine [further referred astrans-4-substituted cyclohexane-1-amine] of formula (T), starting from a diastereomeric mixture of 4-substituted cyclohexane-1-amines (formula (C) + formula (T)) or any salt of them by using a single transaminase biocatalyst in whole-cell, soluble or immobilized form in the presence of an amine acceptor used in sub-equimolar up to equimolar quantities in batch mode or in continuous-flow mode. In the first aspect of the present invention 2-(trans-4-aminocyclohexyl)acetic acid esters, more preferably a C1-6alkyl esters, particularly 2-(trans-4-aminocyclohexyl)acetic acid ethyl ester may be produced. In the second aspect of the present invention hydroxyl-protected or protective group-freetrans-4-(2-hydroxyethyl)cyclohexan-1-amines, particularlytrans-4-(2-hydroxyethyl)cyclohexan-1-amine may be produced. In the third aspect of the present invention protected 2-(trans-4-aminocyclohexyl)acetaldehydes, particularlytrans-4-((1,3-dioxolan-2-yl)methyl)cyclohexan-1-amine may be produced.

  公开号：

  WO2023042081A1
• 作为产物：
  描述：

  ethyl(4-aminocyclohexylidene)acetate 在 盐酸 、 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride
  参考文献：
  名称：

  反式4-氨基-环己基乙酸酯衍生物的制备方法

  摘要：

  本发明提供了反式4‑氨基‑环己基乙酸酯衍生物的制备方法，该方法包括下列步骤：其中R为甲基或者乙基。以4‑氨基环己酮II为原料制备化合物III，化合物III氢化还原得化合物I粗品，加酸成盐，加碱制备化合物Ⅰ。本发明采用未经氨基保护的4‑氨基环己酮为原料进行维蒂希反应witting,再经过催化加氢得到本发明的反式粗产物，该粗产物可经成盐结晶得到更纯的反式产物，反式：顺式比为95‑99.9:5‑0.1。本发明产品化合物纯度高，有利于用于制备卡利拉嗪，本发明操作简单，原料易得，宜于工业化生产，有较大的应用价值。

  公开号：

  CN106565510B

文献信息

• [EN] NEW BENZIMIDAZOLE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE BENZIMIDAZOLE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010043513A1

  公开（公告）日：2010-04-22

  The invention is concerned with novel benzimidazole derivatives of formula (I) wherein R1 to R6 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds can be used as medicaments.

  这项发明涉及式(I)的新型苯并咪唑衍生物，其中R1至R6如描述和索赔中所定义，以及其生理上可接受的盐和酯。这些化合物可用作药物。
• [EN] IRAK DEGRADERS AND USES THEREOF<br/>[FR] AGENTS DE DÉGRADATION D'IRAK ET LEURS UTILISATIONS
  申请人：KYMERA THERAPEUTICS INC

  公开号：WO2020264499A1

  公开（公告）日：2020-12-30

  The present invention provides compounds, compositions thereof, and methods of using the same. The compounds include an IRAK binding moiety capable of binding to IRAK4 and a degradation inducing moiety (DIM). The DIM could be DTM a ligase binding moiety (LBM) or lysine mimetic. The compounds could be useful as IRAK protein kinase inhibitors and applied to IRAK mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。这些化合物包括能够结合到IRAK4的IRAK结合基团和诱导降解的基团（DIM）。DIM可以是DTM、一个连接酶结合基团（LBM）或赖氨酸类似物。这些化合物可以作为IRAK蛋白激酶抑制剂，并应用于IRAK介导的疾病。
• CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES
  申请人：Benson Gregory Martin

  公开号：US20090163552A1

  公开（公告）日：2009-06-25

  This invention relates to novel carboxyl- or hydroxyl-substituted benzimidazole derivatives of formula (I) wherein R 1 to R 6 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds bind to FXR and can be used as medicaments.

  这项发明涉及公式（I）中的新型羧基或羟基取代苯并咪唑衍生物， 其中R1至R6如描述和索赔中所定义，以及其生理上可接受的盐和酯。这些化合物与FXR结合，可用作药物。
• BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS
  申请人：Gobbi Luca

  公开号：US20090042943A1

  公开（公告）日：2009-02-12

  The present invention relates to compounds of formula (I) wherein R 1 and A are as defined in the specification as dual modulators of the serotonin 5-HT 2a and dopamine D 3 receptors, their manufacture, pharmaceutical compositions containing them and their use as medicaments. Compounds of general formula (I) have high affinity for the dopamine D 3 and serotonin (5-Hydroxytryptamine; 5-HT) 5-HT 2A receptors and are effective in the treatment of psychotic disorders, as well as other diseases such as depression and anxiety, drug dependence, dementias and memory impairment.

  本发明涉及以下式（I）的化合物 其中R 1 和A如说明书中定义的作为血清素5-HT 2a 和多巴胺D 3 受体的双调节剂，它们的制备，含有它们的药物组合物以及它们作为药物的用途。一般式（I）的化合物对多巴胺D 3 和血清素（5-羟色胺；5-HT）5-HT 2A 受体具有高亲和力，并且在治疗精神分裂症等疾病以及抑郁症、焦虑症、药物依赖、痴呆症和记忆障碍等其他疾病中具有有效性。
• D3 AND 5-HT2A RECEPTOR MODULATORS
  申请人：Gobbi Luca

  公开号：US20100075983A1

  公开（公告）日：2010-03-25

  The present invention provides compounds of the general formula (I) wherein X, n and R 1 are as described herein, as well as pharmaceutically acceptable salts and esters thereof, methods for their manufacture, pharmaceutical compositions containing them and their use as medicaments. The active compounds of the present invention are dual modulators of the serotonin 5-HT 2a and dopamine D 3 receptors, useful in the treatment and/or the prevention of cognitive disorders, drug addiction, depression, anxiety, drug dependence, dementias, memory impairment, psychotic disorders comprising schizophrenia, schizoaffective disorders, bipolar disease, mania, psychotic depression, and psychoses comprising paranoia and delusions.

  本发明提供了一般式(I)的化合物，其中X、n和R1如本文所述，以及其药学上可接受的盐和酯，其制备方法，含有它们的药物组合物以及它们作为药物的用途。本发明的活性化合物是血清素5-HT2a和多巴胺D3受体的双调节剂，在认知障碍、药物成瘾、抑郁症、焦虑症、药物依赖、痴呆症、记忆障碍、包括精神分裂症、情感性精神障碍、双相情感障碍、躁狂症、精神抑郁症以及偏执狂和妄想的精神病等的治疗和/或预防中有用。