Inh172

• 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: Inh172
• 英文别名: 3-[(3-trifluoromethyl)phenyl]-5-[(4-carboxyphenyl)methylene]-2-thioxo-4-thiazolidinone；5-[(4-Carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl]-4-thiazolidinone；4-[(E)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
• 化学式: C₁₈H₁₀F₃NO₃S₂
• 分子量: 409.41
• InChiKey: JIMHYXZZCWVCMI-RIYZIHGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders
  申请人：Catabasis Pharmaceuticals, Inc.

  公开号：US20170342046A1

  公开（公告）日：2017-11-30

  The invention relates to fatty acid cysteine-based conjugates, compositions comprising a fatty acid cysteine-based conjugates, and methods for using such conjugates and compositions to treat disease, such as a disease caused by dysregulation of autophagy or mitochondrial bioenergetics.

  这项发明涉及脂肪酸半胱氨酸基结合物，包括脂肪酸半胱氨酸基结合物的组合物，以及使用这种结合物和组合物治疗疾病的方法，例如由自噬或线粒体生物能量失调引起的疾病。
• WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR
  申请人：Verkman Alan S.

  公开号：US20110105565A1

  公开（公告）日：2011-05-05

  Provided herein are highly water soluble, thiazolidinone derivative compounds and glycine hydrazide derivative compounds that inhibit the ion transport activity of the cystic fibrosis transmembrane conductance regulator (CFTR). The compounds, and compositions comprising the compounds, described herein are useful for treating diseases, disorders, and sequelae of diseases, disorders, and conditions that are associated with aberrantly increased CFTR activity, for example, secretory diarrhea. The compounds may also be used for inhibiting expansion or preventing formation of cysts in persons who have polycystic kidney disease.

  本文提供了高度水溶性的噻唑啉酮衍生物化合物和甘氨酸酰肼衍生物化合物，这些化合物抑制了囊性纤维化跨膜传导调节器（CFTR）的离子传输活性。本文描述的化合物和含有这些化合物的组合物对于治疗与CFTR活性异常增加相关的疾病、紊乱和疾病、紊乱和条件的后遗症非常有用，例如分泌性腹泻。这些化合物也可用于抑制或预防多囊肾病患者囊肿的扩张或形成。
• Rapid quantitative assay to measure CFTR function in a primary intestinal culture model
  申请人：UMC Utrecht Holding B.V.

  公开号：US10006904B2

  公开（公告）日：2018-06-26

  The invention relates to an assay for diagnosing a disease or affliction that affects fluid uptake or secretion or for studying the effectiveness of one or more drugs for treating the disease or affliction, wherein the assay comprises measuring swelling of one or more organoids.

  本发明涉及一种检测方法，用于诊断影响液体吸收或分泌的疾病或痛苦，或研究一种或多种治疗疾病或痛苦的药物的有效性，其中检测方法包括测量一种或多种有机体的肿胀。
• Fatty acid cysteamine conjugates and their use as activators of autophagy
  申请人：Catabasis Pharmaceuticals, Inc.

  公开号：US10251845B2

  公开（公告）日：2019-04-09

  The invention relates to (i) 6-membered heteroaryl substituted fatty acid cystamine conjugates, compositions thereof, methods of treating diseases involving dysregulation of autophagy, such as cystic fibrosis, idiopathic pulmonary fibrosis (IPF), a neurodegenerative disease, inflammatory disease, liver disease, muscle disease, infection and immune disease with this compound, or (ii) a method of treating idiopathic pulmonary fibrosis, mitochondrial diseases, Leigh Syndrome, Diabetes Mellitus and Deafness (DAD), Leber's hereditary optic neuropathy, Neuropathy-ataxia-retinis pigmentosa and ptosis (NARP), myoneurogenic gastrointestinal encephalopathy (MNGlE), myoclonic epilepsy with ragged red fibers (MERRF), or mitochondrial myopathy-encephalomy-opathy-lactic acidosis stroke like symptoms (MELAS), comprising administering to a patient the fatty acid cysteamine conjugate, (4Z, 7Z. 10Z, 13Z, 16Z, 19Z)—N-(2-mercaptoethyl) docosa-4,7,10,13,16,19-hexaenamide or (5Z, 8Z, 11Z, 14Z, 17Z)—N-(2-mercaptoethyl) icosa-5,8,11,14,17-pentaenamide.

  本发明涉及(i)6-元杂芳基取代的脂肪酸胱胺共轭物、其组合物、用该化合物治疗涉及自噬失调的疾病的方法，如囊性纤维化、特发性肺纤维化（IPF）、神经退行性疾病、炎症性疾病、肝病、肌肉疾病、感染和免疫疾病，或(ii)治疗特发性肺纤维化的方法、线粒体疾病、Leigh 综合征、糖尿病和耳聋（DAD）、Leber 遗传性视神经病变、神经病-共济失调-视网膜色素变性和眼睑下垂（NARP）、肌神经源性胃肠道脑病（MNGlE）、或线粒体肌病-脑肌病-乳酸中毒中风样症状（MELAS），包括给患者服用脂肪酸半胱胺共轭物（4Z、7Z.10Z、13Z、16Z、19Z）-N-（2-巯基乙基）二十二碳-4,7,10,13,16,19-六烯酰胺或（5Z、8Z、11Z、14Z、17Z）-N-（2-巯基乙基）二十二碳-5,8,11,14,17-五烯酰胺。
• Identifying drug candidates for treating polycystic kidney disease using organoids generated from primary cells
  申请人：UMC Utrecht Holding B.V.

  公开号：US11035852B2

  公开（公告）日：2021-06-15

  The invention relates to an assay for diagnosing a disease or affliction that affects fluid uptake or secretion or for studying the effectiveness of one or more drugs for treating the disease or affliction, wherein the assay comprises measuring swelling of one or more organoids.

  本发明涉及一种检测方法，用于诊断影响液体吸收或分泌的疾病或痛苦，或研究一种或多种治疗疾病或痛苦的药物的有效性，其中检测方法包括测量一种或多种有机体的肿胀。