1-[[3-(三氟甲基)苯基]甲基]哌啶-4-胺 | 66898-97-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-[[3-(三氟甲基)苯基]甲基]哌啶-4-胺
• 英文名称: 1-(3-TRIFLUOROMETHYLBENZYL)-4-PIPERIDINYLAMINE
• 英文别名: 1-(3-trifluoromethyl-benzyl)-piperidin-4-ylamine；4-amino-1-(3-trifluoromethylbenzyl)piperidine；1-{[3-(Trifluoromethyl)phenyl]methyl}piperidin-4-amine；1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
• CAS: 66898-97-3
• 化学式: C₁₃H₁₇F₃N₂
• mdl: MFCD09944239
• 分子量: 258.287
• InChiKey: BGXWETBTBPDHLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.0
• 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：
  0.538
• 拓扑面积：
  29.26
• 氢给体数：
  1.0
• 氢受体数：
  2.0

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-[[3-(三氟甲基)苯基]甲基]哌啶-4-胺 以 乙醇 为溶剂， 反应 24.0h， 生成 2-[trans-(4-aminocyclohexyl)amino]-6-[4-[1-(3-trifluoromethylbenzyl)]piperidinylamino]-9-cyclopentylpurine
  参考文献：
  名称：

  THE DESIGN AND SYNTHESIS OF PURINE INHIBITORS OF CDK2. III

  摘要：

  Cyclin-dependent kinases (CDKs) belong to a class of enzymes that control the ability of a cell to enter into and proceed through the cell division cycle. Using purine as a scaffold, we have synthesized a number of nanomolar inhibitors of CDK-2/cyclin E. In this report, the synthesis of a series of piperidine-substituted purine analogs will be presented, as well as some of their in vitro and in vivo biological effects.

  DOI：

  10.1081/ncn-100002493
• 作为产物：
  描述：

  1-氯甲基-3-三氟甲基苯 在 caesium carbonate 、 [双(三氟乙酰氧基)碘]苯 、 potassium iodide 作用下， 以 水 、 乙腈 为溶剂， 反应 5.0h， 生成 1-[[3-(三氟甲基)苯基]甲基]哌啶-4-胺
  参考文献：
  名称：

  THE DESIGN AND SYNTHESIS OF PURINE INHIBITORS OF CDK2. III

  摘要：

  Cyclin-dependent kinases (CDKs) belong to a class of enzymes that control the ability of a cell to enter into and proceed through the cell division cycle. Using purine as a scaffold, we have synthesized a number of nanomolar inhibitors of CDK-2/cyclin E. In this report, the synthesis of a series of piperidine-substituted purine analogs will be presented, as well as some of their in vitro and in vivo biological effects.

  DOI：

  10.1081/ncn-100002493

文献信息

• Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation
  申请人：Dow AgroSciences LLC

  公开号：US06355660B1

  公开（公告）日：2002-03-12

  A compound having the following formula: wherein R3 and M are defined herein, and processes therewith.

  具有以下公式的化合物： 其中R3和M的定义如本文所述，以及与此相关的过程。
• [EN] NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS<br/>[FR] NOUVEAUX COMPOSÉS UTILISÉS COMME BLOQUEURS DES CANAUX CALCIQUES
  申请人：ABBOTT LAB

  公开号：WO2010039947A1

  公开（公告）日：2010-04-08

  The present application relates to calcium channel inhibitors containing compounds of formula (I) wherein Ar1, Ar2, L1, L2, n, R1, R4, X and Y are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及含有式（I）化合物的钙通道抑制剂，其中Ar1、Ar2、L1、L2、n、R1、R4、X和Y如规范中所定义。本申请还涉及包含这些化合物的组合物，以及使用这些化合物和组合物治疗疾病和疾病的方法。
• ACTIVATOR OF ADIPONECTIN RECEPTOR
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20160214967A1

  公开（公告）日：2016-07-28

  An AdipoR activator for activating both AdipoR1 and AdipoR2 is provided. A compound represented by the following formula (1), wherein A is a substituted or unsubstituted aryl group or the like, Y 1 is (CHR 2 ) a — or the like, X is CH or N, R 1 is a C 1-7 alkyl group, m is an integer of 0-4, Y 2 is *—O—CH 2 —CONH—, *—CONH—(CH 2 ) b —CO— or the like, Z is a cyclic group, B may be a substituent of the cyclic group represented by Z, and n is an integer of 0-3.

  提供了一种用于激活AdipoR1和AdipoR2的AdipoR激活剂。以下式（1）表示的化合物，其中A是取代或未取代的芳基或类似物，Y1是（CHR2）a—或类似物，X是CH或N，R1是C1-7烷基基团，m是0-4的整数，Y2是*—O—CH2—CONH—，*—CONH—（CH2）b—CO—或类似物，Z是环基团，B可以是Z代表的环基团的取代基，n是0-3的整数。
• Antihypertensive isoindole derivatives
  申请人：Mead Johnson & Company

  公开号：US04495194A1

  公开（公告）日：1985-01-22

  Novel phthalimide intermediates are reduced to 5-sulfamoyl-6-halo-3-oxoisoindole compounds bearing a substituted 1-phenylalkyl-4-piperidinyl moiety as the isoindole N-substituent. Preferred compounds such as 6-chloro-2,3-dihydro-3-oxo-2-[1-(phenylmethyl)-4-piperidinyl]-1H-isoindole -5-sulfonamide exhibit diuretic and antihypertensive properties.

  新型邻苯二甲酰亚胺中间体被还原为携带取代的1-苯基烷基-4-哌啶基团作为异吲哚N-取代基的5-磺胺基-6-卤代-3-酮异吲哚化合物。首选化合物，如6-氯-2,3-二氢-3-酮-2-[1-(苯基甲基)-4-哌啶基]-1H-异吲哚-5-磺胺酰胺，具有利尿和降压作用。
• Derivatives of 4-anilinoquinoline-3-carboxamide as analgesic agents
  申请人：American Home Products Corporation

  公开号：US05438064A1

  公开（公告）日：1995-08-01

  Derivatives of 4-anilinoquinoline having the formula: ##STR1## where X is O or H.sub.2 and Z is 1-substituted-4-piperidinylamino or diloweralkylaminoloweralkyl inhibit binding of tritiated bradykinin to guinea pig ileum and inhibit bradykinin-induced writhing in mice. Bradykinin is a nonapeptide formed in plasma as a result of inflammation or injury and produces pain when it binds with pain receptors. A drug which inhibits the binding of bradykinin therefore has analgetic properties.

  4-苯胺基喹啉的衍生物具有以下公式：## STR1 ## 其中X为O或H.sub.2，Z为1-取代-4-哌啶基氨基或双低烷基氨基低烷基。该化合物能够抑制三氚-缓激肽在豚鼠回肠上的结合，并且可以抑制缓激肽诱导的小鼠扭动反应。缓激肽是一种非九肽，由于炎症或损伤而在血浆中形成，当它与疼痛受体结合时会产生疼痛。因此，抑制缓激肽的结合具有镇痛作用。