3-(4-methoxy-benzenesulfonylamino)-propionic acid | 59724-72-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-(4-methoxy-benzenesulfonylamino)-propionic acid
• 英文别名: 3-(4-methoxybenzenesulfonylamino)propionic acid；3-[(4-methoxyphenyl)sulfonylamino]propanoic acid
• CAS: 59724-72-0
• 化学式: C₁₀H₁₃NO₅S
• mdl: MFCD02331434
• 分子量: 259.283
• InChiKey: KBHUTIQWIYFYFA-UHFFFAOYSA-N

物化性质

• 熔点：
  138-140 °C
• 沸点：
  467.7±55.0 °C(Predicted)
• 密度：
  1.352±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  哌嗪 、 3-(4-methoxy-benzenesulfonylamino)-propionic acid 在 1-羟基苯并三唑 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以46%的产率得到N,N'-(3,3'-(piperazine-1,4-diyl)bis(3-oxopropane-3,1-diyl))bis(4-methoxybenzenesulfonamide)
  参考文献：
  名称：

  In silico identification, design and synthesis of novel piperazine-based antiviral agents targeting the hepatitis C virus helicase

  摘要：

  A structure-based virtual screening of commercial compounds was carried out on the HCV NS3 helicase structure, with the aim to identify novel inhibitors of HCV replication. Among a selection of 13 commercial structures, one compound was found to inhibit the subgenomic HCV replicon in the low micromolar range. Different series of new piperazine-based analogues were designed and synthesised, and among them, several novel structures exhibited antiviral activity in the HCV replicon assay. Some of the new compounds were also found to inhibit HCV NS3 helicase function in vitro, and one directly bound NS3 with a dissociation constant of 570 +/- 270 nM. (C) 2016 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2016.10.043
• 作为产物：
  描述：

  对甲氧基苯磺酰氯 、 β-丙氨酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.0h， 以72%的产率得到3-(4-methoxy-benzenesulfonylamino)-propionic acid
  参考文献：
  名称：

  In silico identification, design and synthesis of novel piperazine-based antiviral agents targeting the hepatitis C virus helicase

  摘要：

  A structure-based virtual screening of commercial compounds was carried out on the HCV NS3 helicase structure, with the aim to identify novel inhibitors of HCV replication. Among a selection of 13 commercial structures, one compound was found to inhibit the subgenomic HCV replicon in the low micromolar range. Different series of new piperazine-based analogues were designed and synthesised, and among them, several novel structures exhibited antiviral activity in the HCV replicon assay. Some of the new compounds were also found to inhibit HCV NS3 helicase function in vitro, and one directly bound NS3 with a dissociation constant of 570 +/- 270 nM. (C) 2016 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2016.10.043

文献信息

• WRINKLE-IMPROVING AGENT
  申请人：Shiseido Company, Limited

  公开号：EP1941861A1

  公开（公告）日：2008-07-09

  The invention provides a novel wrinkle-improving agent that has an effect of improving wrinkles, that does not entail problems of safety or pain even when applied to the skin, and that contains a very safe substance as an active component. A discovery was made that N-benzoyl-β-alanine, other specific β-alanine derivatives, and salts thereof have a wrinkle-improving effect, whereby a wrinkle-improving agent containing as an active component one, two, or more types of compounds selected from the group composed of these specific β-alanine derivatives and the salts thereof was developed.

  该发明提供了一种新型的改善皱纹的剂，具有改善皱纹的效果，即使应用于皮肤也不会带来安全或疼痛问题，并且包含一种非常安全的物质作为活性成分。发现N-苯甲酰-β-丙氨酸、其他特定的β-丙氨酸衍生物及其盐具有改善皱纹的效果，因此开发了一种改善皱纹的剂，其活性成分包含从这些特定的β-丙氨酸衍生物及其盐组成的群体中选择的一种、两种或更多种化合物。
• Substituted hexahydropyrazino (1,2-a) pyrimidine-4,7-dione derivatives, processes for their preparation and their use as medicaments
  申请人：Flohr Stefanie

  公开号：US20050004131A1

  公开（公告）日：2005-01-06

  Substituted hexahydropyrazino[1,2-a]pyrimidine-4,7-dione derivatives, processes for their preparation and their use as medicaments The invention relates to substituted hexahydropyrazino[1,2-a]pyrimidine-4,7-dione derivatives and to the physiologically tolerated salts and physiologically functional derivatives thereof. Compounds of the formula I in which the radicals have the stated meanings, and the physiologically tolerated salts thereof and processes for preparing them are described. The compounds are suitable for example as anorectic agents.

  取代的六氢吡嗪[1,2-a]嘧啶-4,7-二酮衍生物，其制备方法及其用作药物。本发明涉及取代的六氢吡嗪[1,2-a]嘧啶-4,7-二酮衍生物以及其生理耐受盐和生理功能衍生物。描述了具有以下式I的化合物，其中基团具有所述含义，以及其生理耐受盐和制备它们的方法。这些化合物例如适用于作为厌食剂。
• SUBSTITUTED HEXAHYDROPYRAZINO [1,2-A] PYRIMIDINE-4,7-DIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  申请人：Flohr Stefanie

  公开号：US20080221113A1

  公开（公告）日：2008-09-11

  Substituted hexahydropyrazino[1,2-a]pyrimidine-4,7-dione derivatives, processes for their preparation and their use as medicaments The invention relates to substituted hexahydropyrazino[1,2-a]pyrimidine-4,7-dione derivatives and to the physiologically tolerated salts and physiologically functional derivatives thereof. Compounds of the formula I in which the radicals have the stated meanings, and the physiologically tolerated salts thereof and processes for preparing them are described. The compounds are suitable for example as anorectic agents.

  替代的六氢吡嗪并[1,2-a]嘧啶-4,7-二酮衍生物，其制备过程以及作为药物的用途。本发明涉及替代的六氢吡嗪并[1,2-a]嘧啶-4,7-二酮衍生物及其生理上可耐受的盐和生理上功能性衍生物。描述了式I的化合物，其中基团具有所述的含义，以及其生理上可耐受的盐和制备它们的方法。这些化合物例如适用于作为抑制食欲的药物。
• Substituted hexahydropyrazino [1,2-a] pyrimidine-4,7-dione derivatives, process for their preparation and their use as medicaments
  申请人：Sanofi-Aventis Deutschland GmbH

  公开号：US07390814B2

  公开（公告）日：2008-06-24

  Substituted hexahydropyrazino[1,2-a]pyrimidine-4,7-dione derivatives, processes for their preparation and their use as medicaments The invention relates to substituted hexahydropyrazino[1,2-a]pyrimidine-4,7-dione derivatives and to the physiologically tolerated salts and physiologically functional derivatives thereof. Compounds of the formula I in which the radicals have the stated meanings, and the physiologically tolerated salts thereof and processes for preparing them are described. The compounds are suitable for example as anorectic agents.

  替代的六氢吡唑并[1,2-a]嘧啶-4,7-二酮衍生物，其制备过程以及作为药物的用途本发明涉及替代的六氢吡唑并[1,2-a]嘧啶-4,7-二酮衍生物以及其生理耐受盐和生理功能衍生物。描述了式I中基团具有所述含义的化合物及其生理耐受盐及其制备方法。例如，这些化合物适用于作为厌食剂。
• Substituted hexahydropyrazino [1,2-A] pyrimidine-4,7-dione derivatives, process for their preparation and their use as medicaments
  申请人：Sanofi-Aventis Deutschland GmbH

  公开号：US07750005B2

  公开（公告）日：2010-07-06

  The invention relates to substituted hexahydropyrazino[1,2-a]pyrimidine-4,7-dione derivatives and to the physiologically tolerated salts and physiologically functional derivatives thereof. Compounds of the formula I in which the radicals have the stated meanings, and the physiologically tolerated salts thereof and processes for preparing them are described. The compounds are suitable for example as anorectic agents.

  本发明涉及取代的六氢吡嗪并[1,2-a]嘧啶-4,7-二酮衍生物及其生理上可耐受的盐和生理上功能性衍生物。描述了式I中化学基团具有所述含义的化合物，以及它们的生理上可耐受的盐和制备它们的方法。这些化合物例如适用于作为压食剂。