methyl-[1-(3-trifluoromethyl-phenyl)ethyl]amine | 118761-99-2

• 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: methyl-[1-(3-trifluoromethyl-phenyl)ethyl]amine
• 英文别名: Methyl({1-[3-(trifluoromethyl)phenyl]ethyl})amine；N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
• CAS: 118761-99-2
• 化学式: C₁₀H₁₂F₃N
• mdl: MFCD09043460
• 分子量: 203.207
• InChiKey: JRSKXURJVQNHMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 methyl-[1-(3-trifluoromethyl-phenyl)ethyl]amine 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 tert-butyl methyl(1-(3-(trifluoromethyl)phenyl)ethyl)carbamate
  参考文献：
  名称：

  二磺酰亚胺催化的N-烷基亚胺的不对称还原

  摘要：

  在Boc 2 O存在的情况下，已开发出一种以Hantzsch酯为氢源的手性二磺酰亚胺（DSI）催化N烷基亚胺的不对称还原。该反应可提供具有出色收率和对映选择性的Boc保护的N-烷基胺。该方法可耐受多种烷基胺，从而说明了酮与各种胺的一般还原性交叉偶联的潜力，并已用于药物（S）-利伐斯的明，NPS R-568盐酸盐的合成，以及（R）-芬迪林。

  DOI：

  10.1002/anie.201504052
• 作为产物：
  描述：

  间三氟甲基苯乙酮 在 甲醇 、 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 96.0h， 生成 methyl-[1-(3-trifluoromethyl-phenyl)ethyl]amine
  参考文献：
  名称：

  用3d金属催化处理N-烷基亚胺：高对映选择性铁催化的α-手性胺的合成。

  摘要：

  易于活化的烷基铁预催化剂可有效催化N-烷基亚胺的高度对映选择性氢硼化。使用手性双（恶唑啉基亚甲基）异二氢吲哚钳配体，各种无环N-烷基亚胺的不对称还原提供了相应的α-手性胺，收率极高，ee高达99％以上。药物芬迪林和Tecalcet的合成进一步证明了该贱金属催化体系的适用性。

  DOI：

  10.1002/anie.202006557

文献信息

• [EN] NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS ANTAGONISTES DU RÉCEPTEUR DE LA NEUROKININE 1
  申请人：LEO PHARMA AS

  公开号：WO2013124286A1

  公开（公告）日：2013-08-29

  The present invention relates to a compound according to formula (A) wherein n is 1 or 2; R1 and R2 are independently hydrogen, C1-4 alkyl, C1-4 haloalkyl, C1-4 alkoxy, CD3 or halogen; R3 is hydrogen, C(=O)OR7 or C1-4 alkyl optionally substituted with hydroxy or NR8R9; R4 is hydrogen or oxo; R5 and R6 are independently hydrogen, hydroxy, NR8R9, C( =O)R7, C( =O)OR7, C( =O)NR8R9, C1-4 alkyl, wherein said C1-4 alkyl is optionally substituted with hydroxy, NR8R9 or a 5- or 6-membered heterocyclic ring, wherein said 5- or 6-membered heterocyclic ring is optionally substituted with C1-4 alkyl or C(=O)R7; or R5 and R6, together with the carbon atom to which they are attached, form =CH2 or a 5- or 6-membered heterocycloalkyl, wherein said heterocycloalkyl is optionally substituted with C1-4 alkyl; R7 is hydrogen or C1-4 alkyl; R8 and R9 are independently hydrogen or C1-4 alkyl, or R8 and R9, together with the nitrogen atom to which they are attached, form a 5- or 6-membered heterocyclic ring, or a pharmaceutically acceptable salt or solvate thereof. The invention relates further to intermediates for the preparation of said compounds, to said compounds for use in therapy, to pharmaceutical compositions comprising said compounds, to methods of treating or ameliorating pruritic dermal diseases or conditions with said compounds, and to the use of said compounds in the manufacture of medicaments.

  本发明涉及一种根据公式（A）的化合物，其中n为1或2；R1和R2独立为氢，C1-4烷基，C1-4卤代烷基，C1-4烷氧基，CD3或卤素；R3为氢，C(=O)OR7或C1-4烷基，可选地被羟基或NR8R9取代；R4为氢或氧代；R5和R6独立为氢，羟基，NR8R9，C(=O)R7，C(=O)OR7，C(=O)NR8R9，C1-4烷基，其中所述C1-4烷基可选地被羟基，NR8R9或5-或6-成员的杂环环取代，其中所述5-或6-成员的杂环环可选地被C1-4烷基或C(=O)R7取代；或R5和R6与它们所连接的碳原子一起形成=CH2或5-或6-成员的杂环烷基，其中所述杂环烷基可选地被C1-4烷基取代；R7为氢或C1-4烷基；R8和R9独立为氢或C1-4烷基，或R8和R9与它们所连接的氮原子一起形成一个5-或6-成员的杂环环，或其药用可接受的盐或溶剂化物。本发明进一步涉及用于制备所述化合物的中间体，所述化合物用于治疗，包含所述化合物的药物组合物，使用所述化合物治疗或改善瘙痒性皮肤病或状况的方法，以及所述化合物在药物制造中的用途。
• [EN] HYBRID -IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS<br/>[FR] MOLÉCULES HYBRIDES D'IONONE ET DE CURCUMINE EN TANT QU'AGENTS ANTICANCÉREUX
  申请人：TRT PHARMA INC

  公开号：WO2010060214A1

  公开（公告）日：2010-06-03

  The present invention relates to the synthesis of a series of ionone and curcumin derivatives as multi-targeting agents effective against both hormone-sensitive and hormone-independent cancers. In particular, the present invention is directed to a distinct class of bifunctional antiandrogens, which inhibit both AR and IKBkinases (IKK). A series of ionone-based chalcones were synthesised and their in vitro cytotoxicity against prostate cancer cell lines were demonstrated. A series of derivatives formed by reacting ionone-based chalcones and hydrazines demonstrate substantial antiproliferative activities in prostate cancer, breats cancer and lung cancer cell lines. Formulae (I), (II)

  本发明涉及合成一系列离子酮和姜黄素衍生物，作为对激素敏感和非激素敏感癌症有效的多靶点药物。具体而言，本发明涉及一种独特的双功能抗雄激素剂，既抑制雄激素受体（AR），又抑制IKB激酶（IKK）。合成了一系列基于离子酮的查尔酮，并展示了它们对前列腺癌细胞系的体外细胞毒性。通过反应基于离子酮的查尔酮和肼形成的一系列衍生物，在前列腺癌、乳腺癌和肺癌细胞系中展示了显著的抗增殖活性。公式（I），（II）。
• NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS
  申请人：Leo Pharma A/S

  公开号：EP2817312A1

  公开（公告）日：2014-12-31
• Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof
  申请人：Eickmeier Christian

  公开号：US20090325940A1

  公开（公告）日：2009-12-31

  The present invention relates to substituted 1,2-ethylenediamines of general formula (I) wherein the groups R 1 to R 15 , A, B, L, i as well as X 1 -X 4 are defined as in the specification and claims and the use thereof for the treatment of Alzheimer's disease (AD) and similar diseases.
• HYBRID-IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS
  申请人：Wu Jian Hui

  公开号：US20110230488A1

  公开（公告）日：2011-09-22

  The present invention relates to the synthesis of a series of ionone and curcumin derivatives as multi-targeting agents effective against both hormone-sensitive and hormone-independent cancers. In particular, the present invention is directed to a distinct class of bifunctional antiandrogens, which inhibit both AR and IKBkinases (IKK). A series of ionone-based chalcones were synthesised and their in vitro cytotoxicity against prostate cancer cell lines were demonstrated. A series of derivatives formed by reacting ionone-based chalcones and hydrazines demonstrate substantial antiproliferative activities in prostate cancer, breast cancer and lung cancer cell lines.