5-({(3-phenoxybenzyl)[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]amino}carbonyl)-1,2,4-benzenetricarboxylic acid | 475205-49-3

• 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: 5-({(3-phenoxybenzyl)[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]amino}carbonyl)-1,2,4-benzenetricarboxylic acid
• 英文别名: A-317491；1,2,4-Benzenetricarboxylic acid, 5-((((3-phenoxyphenyl)methyl)((1S)-1,2,3,4-tetrahydro-1-naphthalenyl)amino)carbonyl)-；5-[(3-phenoxyphenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
• CAS: 475205-49-3
• 化学式: C₃₃H₂₇NO₈
• 分子量: 565.579
• InChiKey: VQGBOYBIENNKMI-LJAQVGFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  141
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-({(3-phenoxybenzyl)[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]amino}carbonyl)-1,2,4-benzenetricarboxylic acid 、 对甲氧基苯磺酰胺 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 在 4-二甲氨基吡啶 二氯甲烷 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 2-({[(4-methoxyphenyl)sulfonyl]amino}carbonyl)-5-({(3-phenoxybenzyl)[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]amino}carbonyl)terephthalic acid
  参考文献：
  名称：

  Trisubstituted-N-[(1S)-1,2,3,4-Tetrahydro-1-naphthalenyl]benzamides which inhibit P2X3 and P2X2/3 containing receptors

  摘要：

  式(I)的化合物是一种新型的P2X3和P2X2/P2X3拮抗剂，可用于治疗疼痛、尿失禁和膀胱过度活动。

  公开号：

  US06831193B2

文献信息

• AMINOTRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：SHIONOGI & CO., LTD.

  公开号：US20160115151A1

  公开（公告）日：2016-04-28

  The present invention provides novel compounds having a P2X 3 and/or P2X 2/3 receptor antagonistic activity. A compound of Formula (I): wherein R a and R b , and R d and R e are taken together to form oxo or the like; R 4a and R 4b are hydrogen or the like; n is 1 or the like; R 2 is aryl or the like; s and s′ is 0 or the like; R 9 and R 9 ′ are halogen or the like; R 20a and R 20b are hydrogen, alkyl or the like; u is 1 to 4; R 13 is hydrogen or the like. or its pharmaceutically acceptable salt.

  本发明提供了具有P2X3和/或P2X2/3受体拮抗活性的新化合物。式（I）的化合物：其中Ra和Rb，以及Rd和Re一起取氧或类似物形式；R4a和R4b为氢或类似物；n为1或类似物；R2为芳基或类似物；s和s'为0或类似物；R9和R9'为卤素或类似物；R20a和R20b为氢、烷基或类似物；u为1至4；R13为氢或类似物。或其药学上可接受的盐。
• Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors
  申请人：——

  公开号：US20020173665A1

  公开（公告）日：2002-11-21

  Compounds of formula (I) 1 are novel P2X 3 and P2X 2 /P2X 3 antagonists which are useful in treating pain, urinary incontinence and bladder overactivity.

  化合物的式(I)1是新颖的P2X3和P2X2/P2X3拮抗剂，可用于治疗疼痛、尿失禁和膀胱过度活动。
• Heterocyclic Ring and Carbocyclic Derivative
  申请人：Shionogi & Co., Ltd.

  公开号：US20160024072A1

  公开（公告）日：2016-01-28

  The present invention provides novel compounds having a P2X 3 and/or P2X 2/3 receptor antagonistic effect, e.g. a compound of Formula (I): wherein R 2 is a hydrogen atom or the like; ring A is five- to seven-cycloalkane or the like; C is a carbon atom; Q 1 and Q 2 are carbon atoms or the like; R 9a and R 9b are carbon atoms or the like; R 6 is cycloalkyl or the like; R 7 is a group represented by the formula: wherein ring D is benzene or the like; carbon atom a and b are carbon atoms; ring B is an aromatic carbocyclic ring or the like; s and s′ are 0 or the like; R 9 and R 9′ are halogen or the like, or the like, or its pharmaceutically acceptable salt.

  本发明提供了具有P2X3和/或P2X2/3受体拮抗作用的新化合物，例如Formula (I)的化合物：其中R2是氢原子或类似物；环A是五至七环烷或类似物；C是碳原子；Q1和Q2是碳原子或类似物；R9a和R9b是碳原子或类似物；R6是环烷基或类似物；R7是由以下公式表示的基团：其中环D是苯或类似物；碳原子a和b是碳原子；环B是芳香族碳环或类似物；s和s'为0或类似物；R9和R9'是卤素或类似物，或其药用可接受盐。
• Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors
  申请人：——

  公开号：US20030083359A1

  公开（公告）日：2003-05-01

  Compounds of formula (I) 1 are novel P2X 3 and P2X 2 /P2X 3 antagonists which are useful in treating pain, urinary incontinence and bladder overactivity.

  式(I)1的化合物是新的P2X3和P2X2/P2X3拮抗剂，可用于治疗疼痛、尿失禁和膀胱过度活动。
• AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS
  申请人：LICHTER Jay

  公开号：US20090306225A1

  公开（公告）日：2009-12-10

  Disclosed herein are compositions and methods for the treatment of otic disorders with immunomodulating agents and auris pressure modulators. In these methods, the auris compositions and formulations are administered locally to an individual afflicted with an otic disorder, through direct application of the immunomodulating and/or auris pressure modulating compositions and formulations onto the auris media and/or auris interna target areas, or via perfusion into the auris media and/or auris interna structures.

  本文公开了使用免疫调节剂和耳压调节剂治疗耳部疾病的组合物和方法。在这些方法中，通过将免疫调节剂和/或耳压调节剂组合物和配方直接应用于耳媒介和/或耳内靶区，或通过灌注进入耳媒介和/或耳内结构，局部给患有耳部疾病的个体进行治疗。