methyl 4-[2-(4-aminophenyl)ethyl]benzoate | 1346136-01-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: methyl 4-[2-(4-aminophenyl)ethyl]benzoate
• 英文别名: methyl 4-(4-aminophenethyl)benzoate；Methyl 4-(4-aminophenethyl)benzoate
• CAS: 1346136-01-3
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: KBYNQGMMCMCOOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  methyl 4-[2-(4-aminophenyl)ethyl]benzoate 在 吗啉 、 potassium carbonate 、 sulfur 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 33.0h， 生成 methyl 4-{2-[4-({[2-({3-[cyclopropyl(5-methoxy-5-oxopentyl)sulfamoyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl}amino)phenyl]ethyl}benzoate
  参考文献：
  名称：

  TETRAHYDROBENZOTHIOPHENE COMPOUND

  摘要：

  公开号：

  EP2565190B1
• 作为产物：
  描述：

  (4-甲氧羰基苄基)三苯基溴化膦 在 palladium 10% on activated carbon 、 氢气 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 methyl 4-[2-(4-aminophenyl)ethyl]benzoate
  参考文献：
  名称：

  Design, synthesis, and evaluation of N-phenyl-4-(2-phenylsulfonamido)-benzamides as microtubule-targeting agents in drug-resistant cancer cells, displaying HDAC inhibitory response

  摘要：

  Microtubule-targeting agents (MTA) have enjoyed significant clinical success for decades. However, several mechanisms may cause inactivation of such drugs, leading to acquired resistance in patients treated with them. Therefore, drugs containing a stilbene-like skeleton and possessing dual inhibitory activity may provide a new and differentiated treatment for patients to overcome challenging acquired resistance. A new compound (16c) displays promising anticancer activity with GI(50) of 22 +/- 2 and 12 +/- 0.1 nM in vincristine-resistant nasopharyngeal (KB-Vin) cancer cells and etoposide-resistant nasopharyngeal (KB-7D) cancer cells and is better than vincristine, etoposide, ABT-751, and MS-275. A mechanistic study revealed that 16c interferes with the cell cycle distribution and induces cell cycle arrest at the G2/M phase and severe mitotic spindle defects followed by apoptosis. In addition, it produces much more significant cytotoxicity than vincristine and etoposide in the corresponding resistant cells, indicating that it may be a promising candidate to overcome drug resistance in cancer cells. Compound 16c also displays inhibitory activity against HDAC 1 and HDAC 2 with IC50 values of 1.07 mu M, and 1.47 mu M, respectively. These findings may lead to a new type of structural motif for future development of drugs that could overcome acquired resistance to MTAs. (c) 2020 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2020.112158

文献信息

• 四氢苯并噻吩化合物
  申请人：广东东阳光药业有限公司

  公开号：CN105524053B

  公开（公告）日：2020-06-05

  本发明的目的在于提供具有肠道磷酸转运蛋白(NPT‑IIb)抑制作用、作为高磷血症的治疗剂和/或预防剂的有效成分的四氢苯并噻吩化合物或其立体异构体、几何异构体、互变异构体、氮氧化物、水合物、溶剂化物、代谢产物、酯、药学上可接受的盐或它的前药和药物组合物。
• METHOD FOR PRODUCING DICARBOXYLIC ACID COMPOUND
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US20180148424A1

  公开（公告）日：2018-05-31

  It is an object of the present invention to provide an excellent method for producing an excellent therapeutic agent. The solution of the present invention is as shown in the following scheme: wherein R 1 represents a C1-C6 alkyl group, R 2 represents a C1-C6 alkyl group, and R 3 represents a C1-C6 alkyl group.

  本发明的目的是提供一种优秀的生产优秀治疗剂的方法。 本发明的解决方案如下图所示： 其中R1代表C1-C6烷基，R2代表C1-C6烷基，R3代表C1-C6烷基。
• 苯甲酰胺类衍生物、其制备方法及其在医药上 的应用
  申请人：江苏恒瑞医药股份有限公司

  公开号：CN106316987B

  公开（公告）日：2020-11-17

  本发明涉及苯甲酰胺类衍生物、其制备方法及其在医药上的应用。具体而言，本发明涉及一种通式(I)所示的苯甲酰胺类衍生物、其制备方法及含有该衍生物的药物组合物，以及其作为治疗剂，特别是作为肠2B型磷酸钠协同转运蛋白(Npt2b)抑制剂的用途和其在制备治疗和/或预防高磷血症的药物中的用途，其中通式(I)中的各取代基的定义与说明书中的定义相同。
• DICARBOXYLIC ACID COMPOUND
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US20160046568A1

  公开（公告）日：2016-02-18

  It is an object of the present invention to provide a medicament for preventing or treating hyperphosphatemia. Solution: A compound represented by a general formula (I) or a pharmacologically acceptable salt thereof. [In the formula, R 1 : a methyl group or the like, R 2 : a hydrogen atom or the like, R 3 : a hydrogen atom or the like, A: a cyclohexyl ring or the like, X: CH or the like, Y: CH or the like, Z: CH or the like, and n: 2 or the like.]

  本发明的目的是提供一种用于预防或治疗高磷血症的药物。解决方案：由通式（I）表示的化合物或其药理学可接受的盐。【在公式中，R1：甲基基团或类似物，R2：氢原子或类似物，R3：氢原子或类似物，A：环己基环或类似物，X：CH或类似物，Y：CH或类似物，Z：CH或类似物，n：2或类似物。】
• Aminoalkyl-substituted N-thienylbenzamide derivative
  申请人：ASTELLAS PHARMA INC.

  公开号：US09062032B2

  公开（公告）日：2015-06-23

  [Problem] To provide a compound that has an intestinal phosphate transporter (NPT-IIb) inhibitory action and is useful as an active ingredient of an agent for treating and/or preventing hyperphosphatemia. [Means for Solution] The present inventors conducted their studies on a compound that has an NPT-IIb inhibitory action and is useful as an active ingredient of an agent for treating and/or preventing hyperphosphatemia. As a result, they created an aminoalkyl-substituted N-thienylbenzamide derivative which has NPT-IIb inhibitory action, thereby completing the present invention. The aminoalkyl-substituted N-thienylbenzamide derivative of the present invention has an NPT-IIb inhibitory action and can be used as an agent for preventing and/or treating hyperphosphatemia.

  [问题] 提供一种具有肠道磷酸转运体（NPT-IIb）抑制作用并可用作治疗和/或预防高磷血症药物的有效成分的化合物。 [解决方法] 现有发明人对具有NPT-IIb抑制作用并可用作治疗和/或预防高磷血症药物的有效成分的化合物进行了研究。结果，他们创造了一种具有NPT-IIb抑制作用的氨基烷基取代N-噻吩基苯甲酰胺衍生物，从而完成了本发明。本发明的氨基烷基取代N-噻吩基苯甲酰胺衍生物具有NPT-IIb抑制作用，并可用作预防和/或治疗高磷血症的药物。