4-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-xanthen-9-yl]butyl bromide | 301666-51-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-xanthen-9-yl]butyl bromide
• 英文别名: 9-(4-bromo-butyl)-9H-xanthene-9-carboxylic acid-(2,2,2-trifluoro-ethyl)-amide；9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide
• CAS: 301666-51-3
• 化学式: C₂₀H₁₉BrF₃NO₂
• 分子量: 442.276
• InChiKey: ICEHSWBTLZNLKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-xanthen-9-yl]butyl bromide 、 4-(1-哌嗪基)苯甲酸乙酯 以Thus, ethyl 4-[4-[4-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-xanthen-9-yl]butyl]-piperazin-1-yl]benzoate was obtained的产率得到ethyl 4-[4-[4-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-xanthen-9-yl]butyl]-piperazin-1-yl]benzoate
  参考文献：
  名称：

  Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same

  摘要：

  本发明揭示了由式（I）表示的化合物，其在肝脏中具有三酰甘油生物合成抑制活性和对含载脂蛋白B的脂蛋白从肝脏分泌的抑制活性，尤其具有出色的对含载脂蛋白B的脂蛋白分泌的抑制活性，不会出现脂肪在肝脏中积累的副作用，可用于治疗和预防高脂血症和动脉硬化疾病。在式（I）中，R1和R2表示烷基，烷氧基，环烷基，苯基，烯基，炔基或五元或六元饱和或不饱和杂环环，或R1和R2与R1和R2附着的氮原子一起形成环；R3和R4表示氢原子，烷基，卤素原子，羟基，腈，烷氧羰基，烷氧基或羧基；或R2和R3可以相互连接形成—（CH2）m—，—N═CH—，—CH═N—或—（C1-6烷基）C═N—；A，D，E和G每个表示一个碳原子，或A，D，E和G中的任何一个表示一个氮原子，其他三个表示碳原子；Q表示氮原子或碳原子；Y表示由式（II）表示的基团，其中X表示氢原子，基团—C（═O）N（R5）R6或基团—C（═O）OR7，R8不存在或表示键，氧原子，硫原子，—SO2—，—SO—，—CH2—CH2—或—CH═CH—，R9和R10表示氢原子，烷基，烷氧基，卤素原子或羟基；Z表示—（CH2）n—，—O—（CH2）i—或—C（═O）NH—（CH2）i—。

  公开号：

  US07030120B2

文献信息

• Substituted piperazine derivatives as mtp inhibitors
  申请人：——

  公开号：US20030114442A1

  公开（公告）日：2003-06-19

  The present invention relates to substituted piperazine derivatives of general formula 1 wherein R a to R c , Y a , Y b , X and n are defined as in claim 1, the isomers and salts thereof, particularly the physiologically acceptable salts thereof, which are valuable inhibitors of the microsomal triglyceride-transfer protein (MTP), medicaments containing these compounds and their use, as well as the preparation thereof.

  本发明涉及一般式1的取代哌嗪衍生物，其中R a 到R c ，Y a ，Y b ，X和n的定义如权利要求1中所述，其异构体和盐，特别是其生理上可接受的盐，这些盐是微粒体三酰甘油转移蛋白（MTP）的有价值的抑制剂，含有这些化合物的药物以及它们的用途，以及其制备。
• Substituted piperazine derivatives, the preparation thereofand their use as medicaments
  申请人：——

  公开号：US20030166637A1

  公开（公告）日：2003-09-04

  The present invention relates to substituted piperazine derivatives of general formula 1 , (I wherein R a , R b , R c , R f , R g , X, m and n are defined as in claim 1, the isomers and salts thereof, particularly the physiologically acceptable salts thereof, which are valuable inhibitors of the microsomal triglyceride-transfer protein (MTP), medicaments containing these compounds and their use, as well as the preparation thereof.

  本发明涉及一般式1的取代哌嗪衍生物（I），其中Ra、Rb、Rc、Rf、Rg、X、m和n的定义如权利要求书中所述，其异构体和盐，特别是其生理上可接受的盐，这些盐是微粒体甘油三酯转移蛋白（MTP）的有价值的抑制剂，含有这些化合物的药物以及它们的使用，以及其制备。
• Substituted piperazine derivatives, the preparation thereof and their use as medicaments
  申请人：Boehringer Ingelheim Pharm GmbH & Co, KG

  公开号：US06818644B1

  公开（公告）日：2004-11-16

  The present invention relates to substituted piperazine derivatives of general formula wherein Ra, Rb, Rc Rf, Rg and m, n and X are defined as in claim 1, the isomers and salts thereof, particularly the physiologically acceptable salts thereof, which are valuable inhibitors of the microsomal triglyseride-transfer protein (MTP), medicaments containing these compounds and their use, as well as the preparation thereof.

  本发明涉及一般式的取代哌嗪衍生物，其中Ra、Rb、Rc、Rf、Rg和m、n和X的定义如权利要求书中所述，其异构体和盐，特别是其生理上可接受的盐，这些盐是微粒体三酰甘油转移蛋白（MTP）的有价值的抑制剂，包含这些化合物的药物以及它们的用途，以及其制备。
• Nitrogen-containing heterocyclic compounds and benamide compounds and drugs containing the same
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：US06777414B1

  公开（公告）日：2004-08-17

  Disclosed are compounds represented by formula (I) which have triglyceride biosynthesis inhibitory activity in the liver and inhibitory activity against the secretion of apolipoprotein B-containing lipoprotein from the liver and particularly have excellent inhibitory activity against the secretion of apolipoprotein B-containing lipoprotein, are free from side effect of accumulation of lipids in the liver, and are useful for the treatment and prevention of hyperlipidemia and arteriosclerotic diseases. In formula (I), R1 and R2 represent alkyl, alkoxy, cycloalkyl, phenyl, alkenyl, alkynyl, or a five- or six-membered saturated or unsaturated heterocyclic ring, or R1 and R2, together with a nitrogen atom to which R1 and R2 are attached, may form a ring; R3 and R4 represent a hydrogen atom, alkyl, a halogen atom, hydroxyl, nitrile, alkoxycarbonyl, alkoxy, or carboxyl; or R2 and R3 may be attached to each other to form —(CH2)m—, —N═CH—, —CH═N—, or —(C1-6 alkyl)C═N—; A, D, E, and G each represent a carbon atom, or any one of A, D, E, and G represents a nitrogen atom with the other three each representing a carbon atom; Q represents a nitrogen atom or a carbon atom; Y represents a group represented by formula (II) wherein X represents a hydrogen atom, group —C(═O)N(R5)R6 or group —C(═O)OR7, R8 is absent or represents a bond, an oxygen atom, a sulfur atom, —SO2—, —SO—, —CH2—CH2—, or —CH═CH—, and R9 and R10 represent a hydrogen atom, alkyl, alkoxy, a halogen atom, or hydroxyl; and Z represents —(CH2)n—, —O—(CH2)i—, or —C(═O)NH—(CH2)i—.

  本发明揭示了由式（I）表示的化合物，其具有对肝脏中的三酰甘油生物合成的抑制活性，对含载脂蛋白B的脂蛋白从肝脏分泌的抑制活性，特别是具有优异的抑制含载脂蛋白B的脂蛋白从肝脏分泌的活性，不会出现脂肪在肝脏中积累的副作用，对于治疗和预防高脂血症和动脉硬化疾病非常有用。在式（I）中，R1和R2表示烷基，烷氧基，环烷基，苯基，烯基，炔基或五元或六元饱和或不饱和杂环环，或R1和R2与R1和R2附着的氮原子一起形成一个环；R3和R4表示氢原子，烷基，卤素原子，羟基，腈，烷氧羰基，烷氧基或羧基；或R2和R3可以相互连接形成—（CH2）m—，—N＆boxH; CH—，—CH＆boxH; N—或—（C1-6烷基）C＆boxH; N—；A，D，E和G各代表一个碳原子，或A，D，E和G中的任何一个代表一个氮原子，其余三个分别代表一个碳原子；Q表示一个氮原子或一个碳原子；Y表示由式（II）表示的基团，其中X表示氢原子，基团—C（═O）N（R5）R6或基团—C（═O）OR7，R8不存在或代表一个键，一个氧原子，一个硫原子，—SO2—，—SO—，—CH2—CH2—或—CH＆boxH; CH—，R9和R10表示氢原子，烷基，烷氧基，卤素原子或羟基；Z表示—（CH2）n—，—O—（CH2）i—或—C（═O）NH—（CH2）i—。
• NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP1180514A1

  公开（公告）日：2002-02-20

  Disclosed are compounds represented by formula (I) which have triglyceride biosynthesis inhibitory activity in the liver and inhibitory activity against the secretion of apolipoprotein B-containing lipoprotein from the liver and particularly have excellent inhibitory activity against the secretion of apolipoprotein B-containing lipoprotein, are free from side effect of accumulation of lipids in the liver, and are useful for the treatment and prevention of hyperlipidemia and arteriosclerotic diseases. In formula (I), R1 and R2 represent alkyl, alkoxy, cycloalkyl, phenyl, alkenyl, alkynyl, or a five- or six-membered saturated or unsaturated heterocyclic ring, or R1 and R2, together with a nitrogen atom to which R1 and R2 are attached, may form a ring; R3 and R4 represent a hydrogen atom, alkyl, a halogen atom, hydroxyl, nitrile, alkoxycarbonyl, alkoxy, or carboxyl; or R2 and R3 may be attached to each other to form -(CH2)m-, -N=CH-, -CH=N-, or -(C1-6 alkyl)C=N-; A, D, E, and G each represent a carbon atom, or any one of A, D, E, and G represents a nitrogen atom with the other three each representing a carbon atom; Q represents a nitrogen atom or a carbon atom; Y represents a group represented by formula (II) wherein X represents a hydrogen atom, group -C(=O)N(R5)R6 or group -C(=O)OR7, R8 is absent or represents a bond, an oxygen atom, a sulfur atom, -SO2-, -SO-, -CH2-CH2-, or - CH=CH-, and R9 and R10 represent a hydrogen atom, alkyl, alkoxy, a halogen atom, or hydroxyl; and Z represents - (CH2)n-, -O-(CH2)i-, or -C(=O)NH-(CH2)i-.

  本发明公开了式(I)代表的化合物，该化合物具有抑制肝脏中甘油三酯生物合成的活性和抑制肝脏分泌含脂蛋白B的脂蛋白的活性，特别是对肝脏分泌含脂蛋白B的脂蛋白具有极好的抑制活性，无肝脏中脂类蓄积的副作用，可用于治疗和预防高脂血症和动脉硬化性疾病。在式（I）中，R1 和 R2 代表烷基、烷氧基、环烷基、苯基、烯基、炔基或五元或六元饱和或不饱和杂环，或 R1 和 R2 与 R1 和 R2 所连接的氮原子一起可形成一个环；R3 和 R4 代表氢原子、烷基、卤素原子、羟基、腈基、烷氧羰基、烷氧基或羧基；或 R2 和 R3 可相互连接形成-(CH2)m-、-N=CH-、-CH=N-或-(C1-6 烷基)C=N-；A、D、E 和 G 各代表一个碳原子，或 A、D、E 和 G 中的任何一个代表一个氮原子，其他三个各代表一个碳原子； Q 代表一个氮原子或一个碳原子；Y 代表由式 (II) 所代表的基团，其中 X 代表氢原子、基团-C(=O)N(R5)R6 或基团-C(=O)OR7，R8 不存在或代表键、氧原子、硫原子、-SO2-、-SO-、-CH2-CH2- 或-CH=CH-，R9 和 R10 代表氢原子、烷基、烷氧基、卤素原子或羟基；Z 代表-(CH2)n-、-O-(CH2)-i 或-C(=O)NH-(CH2)-i。