N-(3-bromophenyl)-4-methylpiperazine-1-carboxamide

• 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: N-(3-bromophenyl)-4-methylpiperazine-1-carboxamide
• 英文别名: N-(3-bromophenyl)-4-methylpiperazine-1-carboxyamide；N-(3-Bromophenyl)-4-methyl-1-piperazinecarboxamide
• 化学式: C₁₂H₁₆BrN₃O
• 分子量: 298.183
• InChiKey: OJOYJGKJKSTKCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(3-bromophenyl)-4-methylpiperazine-1-carboxamide 在 [1,1'-二(二叔丁基膦)二茂铁]合二氯钯(II) 、 sodium hydride 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.83h， 生成 methyl 3-fluoro-4-((4-methyl-N-(3-(pyridin-4-yl)phenyl)piperazine-1-carboxamido)methyl)benzoate
  参考文献：
  名称：

  WO2017/23133

  摘要：

  公开号：
• 作为产物：
  描述：

  N-甲基哌嗪 、 3-溴苯基异氰酸酯 以 乙醚 为溶剂， 反应 1.0h， 以87.2%的产率得到N-(3-bromophenyl)-4-methylpiperazine-1-carboxamide
  参考文献：
  名称：

  WO2017/23133

  摘要：

  公开号：

文献信息

• Serotonin 5-Ht3 Receptor Agonist
  申请人：Jikyo Tamaki

  公开号：US20070265277A1

  公开（公告）日：2007-11-15

  A serotonin 5-HT3 receptor agonist containing a compound represented by the general formula (1) [R 1 , R 3 and R 5 represent hydrogen atom, a lower alkyl group, a lower alkenyl group, a halogen atom, hydroxyl group, amino group, a lower alkoxy group, carboxyl group, carbamoyl group, or nitro group, R 2 and R 4 represent a halogen atom, hydroxyl group, or amino group, R 6 represents hydrogen atom, a lower alkyl group, or a lower alkenyl group, R 7 represents hydrogen atom, a lower alkyl group, a lower alkenyl group, or an aralkyl group, and m and n are integers of 1 to 3] or a physiologically acceptable salt thereof as an active ingredient and having both a serotonin 5-HT3 receptor antagonistic action and a serotonin 5-HT3 receptor activating action.

  含有一种化合物的5-HT3受体激动剂，该化合物由通式（1）表示 [其中R1、R3和R5代表氢原子、低碳基、低烯基、卤素原子、羟基、氨基、低烷氧基、羧基、氨基甲酰基或硝基；R2和R4代表卤素原子、羟基或氨基；R6代表氢原子、低碳基或低烯基；R7代表氢原子、低碳基、低烯基或芳基烷基；m和n为1到3的整数]或其生理上可接受的盐作为活性成分，并具有5-HT3受体拮抗作用和5-HT3受体激活作用。
• SEROTONIN 5-HT3 RECEPTOR AGONIST
  申请人：JIKYO Tamaki

  公开号：US20090118303A1

  公开（公告）日：2009-05-07

  A serotonin 5-HT3 receptor agonist containing a compound represented by the general formula (1) [R 1 , R 3 and R 5 represent hydrogen atom, a lower alkyl group, a lower alkenyl group, a halogen atom, hydroxyl group, amino group, a lower alkoxy group, carboxyl group, carbamoyl group, or nitro group, R 2 and R 4 represent a halogen atom, hydroxyl group, or amino group, R 6 represents hydrogen atom, a lower alkyl group, or a lower alkenyl group, R 7 represents hydrogen atom, a lower alkyl group, a lower alkenyl group, or an aralkyl group, and m and n are integers of 1 to 3] or a physiologically acceptable salt thereof as an active ingredient and having both a serotonin 5-HT3 receptor antagonistic action and a serotonin 5-HT3 receptor activating action.

  一种含有化合物通式（1）所代表的化合物的血清素5-HT3受体激动剂[R1、R3和R5代表氢原子、较低的烷基、较低的烯基、卤原子、羟基、氨基、较低的烷氧基、羧基、氨基甲酰基或硝基，R2和R4代表卤原子、羟基或氨基，R6代表氢原子、较低的烷基或较低的烯基，R7代表氢原子、较低的烷基、较低的烯基或芳基烷基，m和n是1到3的整数]或其生理上可接受的盐作为活性成分，具有血清素5-HT3受体拮抗作用和血清素5-HT3受体激活作用。
• 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same
  申请人：Chong Kun Dang Pharmaceutical Corp.

  公开号：US10717716B2

  公开（公告）日：2020-07-21

  The present invention relates to novel compounds having histone deacetylase 6 (HDAC6) in-hibitory activity, stereoisomers thereof or pharmaceutically acceptable salts thereof the use thereof for the preparation of therapeutic medicaments, pharmaceutical compositions containing the same, a method for treating diseases using the composition, and methods for preparing the novel compounds. The novel compounds stereoisomers thereof or pharmaceutically acceptable salts thereof according to the present invention have histone deacetylase (HDAC) inhibitory activity and are effective for the prevention or treatment of HDAC6-mediated diseases, including infectious diseases; neoplasms; endocrine, nutritional and metabolic diseases; mental and be-havioral disorders; neurological diseases; diseases of the eye and adnexa; cardiovascular diseases; respiratory diseases; digestive diseases; diseases of the skin and subcutaneous tissue; diseases of the musculoskeletal system and connective tissue; or congenital malformations, deformations and chromosomal abnormalities.

  本发明涉及具有组蛋白去乙酰化酶6(HDAC6)抑制活性的新型化合物、其立体异构体或其药学上可接受的盐，其在制备治疗药物中的用途，含有其的药物组合物，使用该组合物治疗疾病的方法，以及制备该新型化合物的方法。根据本发明的新型化合物立体异构体或其药学上可接受的盐具有组蛋白去乙酰化酶（HDAC）抑制活性，可有效预防或治疗HDAC6介导的疾病，包括感染性疾病、肿瘤、内分泌、营养和代谢性疾病；精神和行为障碍；神经系统疾病；眼睛和附件疾病；心血管疾病；呼吸系统疾病；消化系统疾病；皮肤和皮下组织疾病；肌肉骨骼系统和结缔组织疾病；或先天性畸形、变形和染色体异常。
• 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Chong Kun Dang Pharmaceutical Corp.

  公开号：EP3331864A2

  公开（公告）日：2018-06-13
• US7485646B2
  申请人：——

  公开号：US7485646B2

  公开（公告）日：2009-02-03