2-[(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-[(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
• 化学式: C₁₃H₁₀ClNO₅S₂
• 分子量: 359.8
• InChiKey: KUIWEMNAWDTKLV-RUDMXATFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF<br/>[FR] DÉRIVÉS DE 2-THIOXOTHIAZOLIDIN-4-ONE ACTIFS EN TANT QUE LIGANDS DE LA TRANSTHYRÉTINE ET UTILISATIONS DE CES DÉRIVÉS
  申请人：BSIM2 – BIOMOLECULAR SIMULATIONS LDA

  公开号：WO2016080853A1

  公开（公告）日：2016-05-26

  Compounds of formula (II) are provided for stabilizing protein transthyretin (TTR) and inhibiting amyloid fibril formation, for example, transthyretin-mediated amyloid fibril formation, and for treating, preventing, or ameliorating one or more symptoms of amyloid diseases, for example, transthyretin-related amyloidosis (ATTR).

  提供了化学式（II）的化合物，用于稳定蛋白质转甲状腺素（TTR）并抑制淀粉样蛋白纤维形成，例如，转甲状腺素介导的淀粉样蛋白纤维形成，并用于治疗、预防或改善淀粉样疾病的一个或多个症状，例如，转甲状腺素相关的淀粉样病（ATTR）。
• 2-OXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF
  申请人：BSIM THERAPEUTICS, S.A.

  公开号：EP4029859A1

  公开（公告）日：2022-07-20

  Compounds of formula (II) are provided for stabilizing protein transthyretin (TTR) and inhibiting amyloid fibril formation, for example, transthyretin-mediated amyloid fibril formation, and for treating, preventing, or ameliorating one or more symptoms of amyloid diseases, for example, transthyretin-related amyloidosis (ATTR).

  提供了式 (II) 化合物，用于稳定蛋白质转甲状腺素（TTR）和抑制淀粉样纤维形成，例如转甲状腺素介导的淀粉样纤维形成，以及治疗、预防或改善淀粉样疾病的一种或多种症状，例如转甲状腺素相关淀粉样变性病（ATTR）。
• 2-thioxothiazolidin-4-one derivatives active as transthyretin ligands and uses thereof
  申请人：BSIM Therapeutics, S.A.

  公开号：US11117877B2

  公开（公告）日：2021-09-14

  Compounds of formula (II) are provided for stabilizing protein transthyretin (TTR) and inhibiting amyloid fibril formation, for example, transthyretin-mediated amyloid fibril formation, and for treating, preventing, or ameliorating one or more symptoms of amyloid diseases, for example, transthyretin-related amyloidosis (ATTR).

  提供了式 (II) 化合物，用于稳定蛋白质转甲状腺素（TTR）和抑制淀粉样纤维形成，例如转甲状腺素介导的淀粉样纤维形成，以及治疗、预防或改善淀粉样疾病的一种或多种症状，例如转甲状腺素相关淀粉样变性病（ATTR）。
• 2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF
  申请人：BSIM2 - Biomolecular Simulations Lda.

  公开号：US20190092737A1

  公开（公告）日：2019-03-28

  Compounds of formula (II) are provided for stabilizing protein transthyretin (TTR) and inhibiting amyloid fibril formation, for example, transthyretin-mediated amyloid fibril formation, and for treating, preventing, or ameliorating one or more symptoms of amyloid diseases, for example, transthyretin-related amyloidosis (ATTR).