3-[(2-{[2-(3-氯苯基)-2-羟基乙基]氨基}乙基)氨基]联苯-3-羧酸盐酸盐 | 451470-34-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-[(2-{[2-(3-氯苯基)-2-羟基乙基]氨基}乙基)氨基]联苯-3-羧酸盐酸盐
• 英文名称: solabegron hydrochloride salt
• 英文别名: 3'-[(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino][1,1'-biphenyl]-3-carboxylic Acid Hydrochloride；Solabegron Hydrochloride；3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid;hydrochloride
• CAS: 451470-34-1
• 化学式: C₂₃H₂₃ClN₂O₃*ClH
• 分子量: 447.361
• InChiKey: PMXCGBVBIRYFPR-FTBISJDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.86
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  81.6
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl (R)-3′-((2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)[1,1′-biphenyl]-3-carboxylate 以49的产率得到3-[(2-{[2-(3-氯苯基)-2-羟基乙基]氨基}乙基)氨基]联苯-3-羧酸盐酸盐
  参考文献：
  名称：

  J. Org. Chem. 2015, 80, 2937-2941

  摘要：

  DOI：

文献信息

• Process for the preparation of arylethanolamine derivatives having an anti-obesity and anti-diabetic properties
  申请人：——

  公开号：US20020198220A1

  公开（公告）日：2002-12-26

  A process for the preparation of a compound of Formula (IA) or a pharmaceutically acceptable salt thereof: wherein R 1 is an aryl, pyridyl, thiazolyl, phenoxymethyl or pyrimidyl group, optionally substituted by one or more substituents selected from the group consisting of halogen, hydroxy, C 1-6 alkoxy, C 1-6 alkyl, hydroxymethyl, tifluoromethyl, —NR 6 R 6 , and —NHSO 2 R 6 , where each R 6 is independently hydrogen or C 1-4 alkyl; R 2 is hydrogen or C 1-6 alkyl; R 3 is CO 2 R 7 where R 7 is hydrogen or C 1-6 alkyl; R 4 and R 5 are independently hydrogen, C 1-6 alkyl or —CO 2 C 1-6 alkyl; and Y is N or CH comprising the step of preparing a diamide of Formula (II) or a pharmaceutically acceptable salt thereof: wherein R 1 is an aryl, pyridyl, thiazolyl, phenoxymethyl or pyrimidyl group, optionally substituted by one or more substituents selected from the group consisting of halogen, hydroxy, C 1-6 alkoxy, C 1-6 alkyl, hydroxymethyl, trifluoromethyl, —NR 6 R 6 , and —NHSO 2 R 6 , where each R 6 is independently hydrogen or C 1-4 alkyl; R 2 is hydrogen or C 1-6 alkyl; R 3 is CO 2 R 7 where R 7 is C 1-6 alkyl; R 4 and R 5 are independently hydrogen, C 1-6 alkyl, —CO 2 C 1-6 alkyl; and Y is N or CH.

  制备公式(IA)化合物或其药学上可接受的盐的方法：其中R1是芳基、吡啶基、噻唑基、苯氧甲基或嘧啶基，可选择地被一种或多种取代基所取代，所述取代基选择自卤素、羟基、C1-6烷氧基、C1-6烷基、羟甲基、三氟甲基、-NR6R6和-NHSO2R6，其中每个R6独立地是氢或C1-4烷基；R2是氢或C1-6烷基；R3是CO2R7，其中R7是氢或C1-6烷基；R4和R5独立地是氢、C1-6烷基或-CO2C1-6烷基；以及Y是N或CH，包括制备公式(II)的二酰胺或其药学上可接受的盐的步骤：其中R1是芳基、吡啶基、噻唑基、苯氧甲基或嘧啶基，可选择地被一种或多种取代基所取代，所述取代基选择自卤素、羟基、C1-6烷氧基、C1-6烷基、羟甲基、三氟甲基、-NR6R6和-NHSO2R6，其中每个R6独立地是氢或C1-4烷基；R2是氢或C1-6烷基；R3是CO2R7，其中R7是C1-6烷基；R4和R5独立地是氢、C1-6烷基或-CO2C1-6烷基；以及Y是N或CH。
• Process
  申请人：SmithKline Beecham Corporation

  公开号：US07425639B2

  公开（公告）日：2008-09-16

  An improved process for preparing arylethanoldiamines is described. Compounds of this type are known to be useful as agonists at a typical beta-adrenoceptors (also known as beta-3-adrenoceptors).

  本文描述了一种改进的制备芳基乙二胺的方法。这种类型的化合物已知可作为典型β-肾上腺素受体（也称为β-3-肾上腺素受体）的激动剂。
• Therapeutic biaryl derivatives
  申请人：Glaxo Wellcome Inc.

  公开号：US06251925B1

  公开（公告）日：2001-06-26

  The present invention relates to therapeutic biaryl derivatives of formula (I), and pharmaceutically acceptable derivatives thereof wherein R1 is a phenyl, naphthyl, pyridyl, thiazolyl, phenoxymethyl, or pyrimidyl group, optionally substituted by one or more substituents selected from the group consisting of halogen, hydroxy, C1-6alkoxy, C1-6alkyl, nitro, cyano, hydroxymethyl, trifluoromethyl, —NR6R6, and —NHSO2R6, where each R6 is independently hydrogen or C1-4alkyl; R2 is hydrogen or C1-6alkyl; X is oxygen, sulfur, —NH, or —NC1-4alkyl; R3 is cyano, tetrazol-5-yl, or —CO2R7 where R7 is hydrogen or C1-6alkyl; R4 and R5 are independently hydrogen, C1-6alkyl, —CO2H, —CO2C1-6alkyl, cyano, tetrazol-5-yl, halogen, trifluoromethyl, or C1-6alkoxy, or, when R4 and R5 are bonded to adjacent carbon atoms, R4 and R5 may, together with the carbon atoms to which they are bonded, form a fused 5 or 6 membered ring optionally containing one or two nitrogen, oxygen, or sulfur atoms; and Y is N or CH, to processes for their preparation and their use in the treatment of diseases susceptible to ameleoration by treatment with a beta-3 adrenoceptor agonist.

  本发明涉及式（I）的治疗用双芳基衍生物及其药学上可接受的衍生物，其中R1是苯基、萘基、吡啶基、噻唑基、苯氧甲基或嘧啶基，可选择地被一个或多个取代基所取代，所述取代基选自卤素、羟基、C1-6烷氧基、C1-6烷基、硝基、氰基、羟甲基、三氟甲基、—NR6R6和—NHSO2R6，其中每个R6独立地是氢或C1-4烷基；R2是氢或C1-6烷基；X是氧、硫、—NH或—NC1-4烷基；R3是氰基、四唑-5-基或—CO2R7，其中R7是氢或C1-6烷基；R4和R5独立地是氢、C1-6烷基、—CO2H、—CO2C1-6烷基、氰基、四唑-5-基、卤素、三氟甲基或C1-6烷氧基，或者当R4和R5被连接到相邻的碳原子时，R4和R5可以与它们连接的碳原子一起形成一个融合的5或6元环，其中可选地包含一个或两个氮、氧或硫原子；Y是N或CH，以及它们的制备方法和在通过β-3肾上腺素能受体激动剂治疗易于改善的疾病中的应用。
• PROCESS
  申请人：Cooke Jason William Beames

  公开号：US20080306278A1

  公开（公告）日：2008-12-11

  An improved process for preparing arylethanoldiamines is described. Compounds of this type are known to be useful as agonists at atypical beta-adrenoceptors (also known as beta-3-adrenoceptors).

  本文描述了一种改进的制备芳基乙二胺的过程。这种类型的化合物已知可作为非典型β-肾上腺素受体（也称为β-3-肾上腺素受体）的激动剂。
• [EN] SOLABEGRON ZWITTERION AND USES THEREOF<br/>[FR] ZWITTERION DE SOLABEGRON ET SES UTILISATIONS
  申请人：VELICEPT THERAPEUTICS INC

  公开号：WO2017070689A3

  公开（公告）日：2017-07-20