3-[5-(benzo[b]thien-2-yl)-2,4-dimethoxyphenyl]-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propen-1-one | 690666-07-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-[5-(benzo[b]thien-2-yl)-2,4-dimethoxyphenyl]-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propen-1-one
• 英文别名: (E)-3-(5-Benzo[b]thiophen-2-yl-2,4-dimethoxy-phenyl)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-propenone；(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]-1-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
• CAS: 690666-07-0
• 化学式: C₂₇H₂₄O₆S
• 分子量: 476.55
• InChiKey: UKNSRYQDVWXGQL-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 4-O-tert-butyldimethylsilyl-3,5-dimethoxybenzoate 生成 3-[5-(benzo[b]thien-2-yl)-2,4-dimethoxyphenyl]-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-propen-1-one 、 3-[5-(benzo[b]thien-2-yl)2,4-dimethoxyphenyl]-1-(4-ter-butyldimethylsiloxy-3,5-dimethoxyphenyl)-2-propen-1-one
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders
  申请人：Atherogenics Pharmaceuticals, Inc.

  公开号：US20030236298A1

  公开（公告）日：2003-12-25

  It has been discovered certain 1,3-bis-(substituted-phenyl)-2-propen-1-ones, including compounds of formula (I) inhibit the expression of VCAM-1, and thus can be used to treat a patient with a disorder mediated by VCAM-1. Examples of inflammatory disorders that are mediated by VCAM-1 include, but are not limited to arthritis, asthma, dermatitis, cystic fibrosis, post transplantation late and chronic solid organ rejection, multiple sclerosis, systemic lupus erythematosis, inflammatory bowel diseases, autoimmune diabetes, diabetic retinopathy, rhinitis, ischemia-reperfusion injury, post-angioplasty restenosis, chronic obstructive pulmonary disease (COPD), glomerulonephritis, Graves disease, gastrointestinal allergies, conjunctivitis, atherosclerosis, coronary artery disease, angina and small artery disease.

  已经发现了某些1,3-双-(取代苯基)-2-丙烯-1-酮，包括公式(I)化合物抑制VCAM-1的表达，因此可用于治疗受VCAM-1介导的疾病的患者。VCAM-1介导的炎症性疾病的例子包括但不限于关节炎、哮喘、皮炎、囊性纤维化、移植后晚期和慢性实体器官排斥、多发性硬化症、系统性红斑狼疮、炎症性肠病、自身免疫性糖尿病、糖尿病视网膜病变、鼻炎、缺血再灌注损伤、血管成形术后再狭窄、慢性阻塞性肺疾病（COPD）、肾小球肾炎、格雷夫斯病、胃肠道过敏、结膜炎、动脉粥样硬化、冠状动脉疾病、心绞痛和小动脉疾病。
• 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders
  申请人：Meng Q. Charles

  公开号：US20060258735A1

  公开（公告）日：2006-11-16

  It has been discovered certain 1,3-bis-(substituted-phenyl)-2-propen-1-ones, including compounds of formula (I) inhibit the expression of VCAM-1, and thus can be used to treat a patient with a disorder mediated by VCAM-1. Examples of inflammatory disorders that are mediated by VCAM-1 include, but are not limited to arthritis, asthma, dermatitis, cystic fibrosis, post transplantation late and chronic solid organ rejection, multiple sclerosis, systemic lupus erythematosis, inflammatory bowel diseases, autoimmune diabetes, diabetic retinopathy, rhinitis, ischemia-reperfusion injury, post-angioplasty restenosis, chronic obstructive pulmonary disease (COPD), glomerulonephritis, Graves disease, gastrointestinal allergies, conjunctivitis, atherosclerosis, coronary artery disease, angina and small artery disease.

  已经发现某些1,3-双-(取代苯基)-2-丙烯-1-酮，包括公式（I）化合物抑制VCAM-1的表达，因此可以用于治疗由VCAM-1介导的患者疾病。由VCAM-1介导的炎症性疾病的例子包括但不限于关节炎，哮喘，皮炎，囊性纤维化，移植后晚期和慢性实体器官排斥，多发性硬化症，系统性红斑狼疮，炎症性肠病，自身免疫性糖尿病，糖尿病视网膜病变，鼻炎，缺血再灌注损伤，血管成形术后再狭窄，慢性阻塞性肺疾病（COPD），肾小球肾炎，Graves病，胃肠道过敏，结膜炎，动脉粥样硬化，冠状动脉疾病，心绞痛和小动脉疾病。
• 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS
  申请人：Atherogenics, Inc.

  公开号：EP1330448A2

  公开（公告）日：2003-07-30
• US6608101B1
  申请人：——

  公开号：US6608101B1

  公开（公告）日：2003-08-19
• US7078431B2
  申请人：——

  公开号：US7078431B2

  公开（公告）日：2006-07-18