1-[3-氟-5-(三氟甲基)苯基]-N-甲基甲胺 | 690653-23-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-[3-氟-5-(三氟甲基)苯基]-N-甲基甲胺
• 英文名称: {[3-fluoro-5-(trifluoromethyl)phenyl]methyl}(methyl)amine
• 英文别名: 1-(3-fluoro-5-(trifluoromethyl)phenyl)-N-methylmethanamine；N-methyl-N-(3-fluoro-5-trifluoromethylbenzyl)amine；1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylmethanamine
• CAS: 690653-23-7
• 化学式: C₉H₉F₄N
• mdl: MFCD23626931
• 分子量: 207.171
• InChiKey: BSHXOUCKAXRBEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[3-氟-5-(三氟甲基)苯基]-N-甲基甲胺 、 (1S,8aS)-7,7-diallyl-1-o-tolylhexahydropyrrolo[1,2-a]pyrazine-6(7H)-one 在 4-二甲氨基吡啶 、 氧气 、 臭氧 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 69.5h， 生成 (1S,8aS)-N-(3-fluoro-5-(trifluoromethyl)benzyl)-7,7-bis(2-hydroxyethyl)-N-methyl-6-oxo-1-o-tolylhexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
  参考文献：
  名称：

  [EN] NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS ANTAGONISTES DU RÉCEPTEUR DE LA NEUROKININE 1

  摘要：

  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。

  公开号：

  WO2013124286A1
• 作为产物：
  描述：

  tert-butyl 3-fluoro-5-(trifluoromethyl)benzyl(methyl)carbamate 在 盐酸 、 水 作用下， 以 1,3-二噁烷 为溶剂， 以94.3%的产率得到1-[3-氟-5-(三氟甲基)苯基]-N-甲基甲胺
  参考文献：
  名称：

  [EN] AMINO CYCLOBUTYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
  [FR] MODULATEURS AMINO CYCLOBUTYLAMIDE DE L'ACTIVITE DU RECEPTEUR DE CHIMIOKINE

  摘要：

  本发明涉及以下公式I和II的化合物：其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R15、R16、R17、R18、R19、R25、R26、Y、Z、l、m、n和虚线如本文所定义，这些化合物可用作趋化因子受体活性调节剂。特别地，这些化合物可用作趋化因子受体CCR-2的调节剂。

  公开号：

  WO2004082682A1

文献信息

• Indanyl-piperazine compounds
  申请人：De Nanteuil Guillaume

  公开号：US20060223830A1

  公开（公告）日：2006-10-05

  A compound selected from those of formula (I): wherein: R 3 represents a hydrogen atom, and R 1 and R 2 together with the carbon atoms carrying them form a benzene, naphthalene or quinoline ring structure, each of the ring structures being optionally substituted, or R 1 represents a hydrogen atom, and R 2 and R 3 together with the carbon atoms carrying them form a benzene, naphthalene or quinoline ring structure, each of the ring structures being optionally substituted, n represents 1 or 2, —X— represents a group selected from —(CH 2 ) m —O-Ak-, —(CH 2 ) m —NR 4 -Ak-, —(CO)—NR 4 -Ak- and —(CH 2 ) m —NR 4 -(CO)—, m represents an integer between 1 and 6 inclusive, Ak represents an optionally substituted alkylene chain, and R 4 represents a hydrogen atom or an alkyl group, Ar represents an aryl or heteroaryl group, its enantiomers, diasteroisomers, and addition salts thereof with a pharmaceutically acceptable acid. Medical products containing the same which are useful in the treatment of conditions requiring a serotonin reuptake inhibitor and/or NK 1 antagonist.

  从公式（I）中选择的化合物：其中：R3代表氢原子，R1和R2与携带它们的碳原子一起形成苯、萘或喹啉环结构，每个环结构可选择地被取代，或R1代表氢原子，R2和R3与携带它们的碳原子一起形成苯、萘或喹啉环结构，每个环结构可选择地被取代，n代表1或2，-X-代表从-(CH2)m-O-Ak-、-(CH2)m-NR4-Ak-、-(CO)-NR4-Ak-和-(CH2)m-NR4-(CO)-中选择的基团，m代表1到6之间的整数，Ak代表可选择地取代的烷基链，R4代表氢原子或烷基基团，Ar代表芳基或杂环芳基基团，它的对映异构体、顺反异构体和与药用酸形成的加合物。含有这些化合物的医药产品在治疗需要血清素再摄取抑制剂和/或NK1拮抗剂的病症中有用。
• 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors
  申请人：——

  公开号：US20040242592A1

  公开（公告）日：2004-12-02

  The present invention relates to piperazine derivatives of formula (I), wherein R represents halogen, C 1-4 alkyl, trifluoromethoxy or trifluoromethyl; R 1 is trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, halogen or trifluoromethoxy; R 2 is hydrogen, C 1-4 alkyl or C 2-6 alkenyl; R 3 represents hydrogen or C 1-4 alkyl; n and m are independently 0 or an integer from 1 to 3; and pharmaceutically acceptable salts and solvates thereof, process for their preparation and their use in the treatment of condition mediated by tachykinins and/or by selective inhibition of the serotonin reuptake transporter protein. 1

  本发明涉及式（I）的哌嗪衍生物，其中R代表卤素、C1-4烷基、三氟甲氧基或三氟甲基；R1为三氟甲基、C1-4烷基、C1-4烷氧基、卤素或三氟甲氧基；R2为氢、C1-4烷基或C2-6烯基；R3代表氢或C1-4烷基；n和m分别独立地为0或1到3的整数；以及其药学上可接受的盐和溶剂合物，它们的制备方法以及它们在通过选择性抑制血清素再摄取转运蛋白和/或介导催吐肽的疾病治疗中的用途。
• Dpp-iv inhibitors
  申请人：Edwards John Paul

  公开号：US20070197522A1

  公开（公告）日：2007-08-23

  The invention relates to compounds of formula (I) Z-C(R 1 R 2 )—C(R 3 NH 2 )—C(R 4 R 5 )—X—N(R 6 R 7 )  (I), wherein Z, R 1-7 and X have the meaning as cited in the description and the claims. Said compounds are useful as DPP-IV inhibitors. The invention also relates to the preparation of such compounds as well as the production and use thereof as medicament.

  该发明涉及式（I）的化合物：Z-C（R1R2）-C（R3NH2）-C（R4R5）-X-N（R6R7）（I），其中Z，R1-7和X的含义如所述。所述化合物可用作DPP-IV抑制剂。该发明还涉及制备这种化合物以及其作为药物的生产和使用。
• COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT
  申请人：ARDELYX, INC.

  公开号：US20140023611A1

  公开（公告）日：2014-01-23

  Compounds having activity as phosphate transport inhibitors, more specifically, inhibitors of intestinal apical membrane Na/phosphate co-transport, are disclosed. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本发明涉及具有磷酸盐转运抑制活性的化合物，更具体地涉及肠道顶端膜Na/磷酸盐共转运的抑制剂。本发明还涉及与制备和使用此类化合物相关的方法，以及包含此类化合物的制药组合物。
• NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS
  申请人：LEO PHARMA A/S

  公开号：US20150018345A1

  公开（公告）日：2015-01-15

  The present invention relates to a compound according to formula (A) wherein n is 1 or 2; R1 and R2 are independently hydrogen, C 1-4 alkyl, C 1-4 haloalkyl, C 1-4 alkoxy, CD3 or halogen; R3 is hydrogen, C(═O)OR7 or C 1-4 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, C 1-4 alkyl, wherein said C 1-4 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 C 1-4 alkyl or C(═O)R7; or R5 and R6, together with the carbon atom to which they are attached, form ═CH 2 or a 5- or 6-membered heterocycloalkyl, wherein said heterocycloalkyl is optionally substituted with C 1-4 alkyl; R7 is hydrogen or C 1-4 alkyl; R8 and R9 are independently hydrogen or C 1-4 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.

  本发明涉及一种化合物，其化学式为（A），其中n为1或2；R1和R2分别为氢、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，该C1-4烷基可选择性地被羟基或NR8R9取代；R4为氢或氧代基；R5和R6分别为氢、羟基、NR8R9、C（═O）R7、C（═O）OR7、C（═O）NR8R9、C1-4烷基，其中所述的C1-4烷基可选择性地被羟基、NR8R9或一个5-或6-成员杂环环取代，所述的5-或6-成员杂环环可选择性地被C1-4烷基或C（═O）R7取代；或者R5和R6与它们连接的碳原子一起形成═CH2或一个5-或6-成员杂环烷基，其中所述的杂环烷基可选择性地被C1-4烷基取代；R7为氢或C1-4烷基；R8和R9分别为氢或C1-4烷基，或者R8和R9与它们连接的氮原子一起形成一个5-或6-成员杂环环，或其药学上可接受的盐或溶剂。本发明还涉及制备该化合物的中间体，所述化合物用于治疗、缓解瘙痒性皮肤疾病或状况的制剂，以及所述化合物用于制造药物的用途。