trans-4-tert-butylcyclohexylbenzylamine | 67498-86-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-4-tert-butylcyclohexylbenzylamine
• 英文别名: trans-Benzyl-4-t-butyl-cyclohexylamin
• CAS: 67498-86-6
• 化学式: C₁₇H₂₇N
• 分子量: 245.408
• InChiKey: ZIWMQGCKCMLUFJ-WKILWMFISA-N

物化性质

• 沸点：
  337.2±11.0 °C(Predicted)
• 密度：
  0.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.38
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  12.03
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  trans-4-tert-butylcyclohexylbenzylamine 在 palladium on activated charcoal 、 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 生成 N-(3-((1s,4s )-4-(tert-butyl)cyclohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)acetamide
  参考文献：
  名称：

  Discovery and Optimization of a Compound Series Active against Trypanosoma cruzi, the Causative Agent of Chagas Disease

  摘要：

  Chagas disease is caused by the protozoan parasite Trypanosoma cruzi. It is endemic in South and Central America and recently has been found in other parts of the world, due to migration of chronically infected patients. The current treatment for Chagas disease is not satisfactory, and there is a need for new treatments. In this work, we describe the optimization of a hit compound resulting from the phenotypic screen of a library of compounds against T. cruzi. The compound series was optimized to the level where it had satisfactory pharmacokinetics to allow an efficacy study in a mouse model of Chagas disease. We were able to demonstrate efficacy in this model, although further work is required to improve the potency and selectivity of this series.

  DOI：

  10.1021/acs.jmedchem.9b01852
• 作为产物：
  描述：

  苄胺 在 L-Selectride 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 24.0h， 生成 trans-4-tert-butylcyclohexylbenzylamine
  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

• [EN] 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS<br/>[FR] 6-HÉTÉROARYLOXY BENZIMIDAZOLES ET AZABENZIMIDAZOLES EN TANT QU'INHIBITEURS DE JAK2
  申请人：AJAX THERAPEUTICS INC

  公开号：WO2021226261A1

  公开（公告）日：2021-11-11

  The present disclosure provides 6-heteroaryloxy benzimidazole and azabenzimidazole compounds and compositions thereof useful for inhibiting JAK2.

  本公开提供了6-杂芳氧基苯并咪唑和氮杂苯并咪唑化合物及其组合物，用于抑制JAK2。
• [EN] TREATMENT OF CHAGAS DISEASE<br/>[FR] TRAITEMENT DE LA MALADIE DE CHAGAS
  申请人：UNIV DUNDEE

  公开号：WO2015189595A1

  公开（公告）日：2015-12-17

  The invention provides compounds of the formula: wherein L1 and L2 are independently selected from O and S; R1 is C3-C6straight or branched alkyl, C3-C7cycloalkyl, C5-C7cycloalkenyl, adamantly, phenyl or saturated heterocyclyl, any of which being optionally substituted; R2 is H, methyl or ethyl; R5 is NRxCORy, NRxRy, CH2COCH3, CH2C≡N, or a 5- or 6-membered heteroaryl group which is optionally substituted; X, Y and Z are independently N or CH; Rx is independently H or C1-C4alkyl; Ry is independently H, CrC4alkyl, phenyl or benzyl, either of which is optionally substituted; n is 0-3; salts, hydrates and N-oxides, wherein the optional substituents are further defined in the claims. The compounds have utility in the prophylaxis or treatment of trypanosomal diseases, such as T. cruzi (Chagas disease).

  该发明提供了以下式的化合物：其中L1和L2分别选自O和S；R1为C3-C6直链或支链烷基，C3-C7环烷基，C5-C7环烯基，脱氢胆固醇，苯基或饱和杂环烷基，其中任一可选择地被取代；R2为H，甲基或乙基；R5为NRxCORy，NRxRy，CH2COCH3，CH2C≡N，或者是可选择地被取代的5-或6-成员杂芳基团；X、Y和Z分别为N或CH；Rx分别为H或C1-C4烷基；Ry分别为H，CrC4烷基，苯基或苄基，其中任一可选择地被取代；n为0-3；盐、水合物和N-氧化物，其中可选择的取代基在权利要求中进一步定义。这些化合物在预防或治疗锥虫病等锥虫病方面具有用途。
• Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof
  申请人：Unoki Gen

  公开号：US20070072898A1

  公开（公告）日：2007-03-29

  A pyrazolo[1,5-a]pyridine derivative represented by formula (I) and salt thereof exhibit excellent MAPKAP-K2 inhibitory activity. Accordingly, medicines comprising this compound as an active ingredient are expected to be valuable for treating or preventing diseases mediated by MAPKAP-K2 such as inflammatory injury, autoimmune diseases, asteropathia destruens, cancer and/or growth of tumor.

  由式(I)表示的吡唑并[1,5-a]吡啶衍生物及其盐表现出优异的MAPKAP-K2抑制活性。因此，包含该化合物作为活性成分的药物预计对治疗或预防由MAPKAP-K2介导的疾病，如炎症损伤、自身免疫疾病、asteropathia destruens、癌症和/或肿瘤生长具有重要价值。
• Hydride reagents for stereoselective reductive amination. An improved preparation of 3-endo-tropanamine
  作者：John M. McGill、Elizabeth S. Labell、MaryAnn Williams

  DOI：10.1016/0040-4039(96)00760-5

  日期：1996.6

  The reductive amination of substituted cyclohexanones with sodium triacyloxy-borohydrides derived from NaBH4 and various carboxylic acids provides highly diastereoselective conversions to protected axial amines. This method was applied to the stereoselective preparation of 3-endo-tropanamine.

  用衍生自NaBH 4和各种羧酸的三酰氧基硼氢化钠对取代的环己酮进行还原性胺化反应，可高度非对映选择性地转化为受保护的轴向胺。该方法用于3-内-三聚泛胺的立体选择性制备。
• BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS
  申请人：Bloxham Jason

  公开号：US20100173886A1

  公开（公告）日：2010-07-08

  Compounds of formula (I): or pharmaceutically acceptable salts thereof, are opioid receptor modulators, e.g. mu-opioid receptor antagonists, neutral antagonists or inverse agonists, and are useful for the treatment of metabolic disorders including obesity.

  化合物式(I)或其药学上可接受的盐，是阿片受体调节剂，例如μ-阿片受体拮抗剂，中性拮抗剂或倒向激动剂，并且可用于治疗代谢性疾病，包括肥胖症。