3-benzo [1,3]dioxol-5-yl-3-{6-[2-(3,4-dihydro-2H-pyrido[3,2-b][1, 4]oxazin-6-yl)-ethoxy]-benzo[b]thiophen-3-yl}-propionic acid | 474658-59-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 3-benzo [1,3]dioxol-5-yl-3-{6-[2-(3,4-dihydro-2H-pyrido[3,2-b][1, 4]oxazin-6-yl)-ethoxy]-benzo[b]thiophen-3-yl}-propionic acid
• 英文别名: 3-(1,3-benzodioxol-5-yl)-3-[6-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]-1-benzothiophen-3-yl]propanoic acid
• CAS: 474658-59-8
• 化学式: C₂₇H₂₄N₂O₆S
• 分子量: 504.563
• InChiKey: GGDDKAQJOUOJNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20030018064A1

  公开（公告）日：2003-01-23

  The present invention relates to novel substituted benzofurans and benzothiophenes compounds that are antagonists of alpha V (&agr;v) integrins, for example &agr; v &bgr; 3 and &agr; v &bgr; 5 integrins, their pharmaceutically acceptable salts, and pharmaceutical compositions thereof. The compounds may be used in the treatment of pathological conditions mediated by &agr; v &bgr; 3 and &agr; v &bgr; 5 integrins, including such conditions as tumor growth, metastasis, restenosis, osteoporosis, inflammation, macular degeneration, diabetic retinopathy, and rheumatoid arthritis. The compounds have the general formula I: 1 where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 14 , m, n, i, j and k are defined herein.

  本发明涉及一种新的取代苯并呋喃和苯并噻吩化合物，它们是αV（αv）整合素的拮抗剂，例如αvβ3和αvβ5整合素，其药学上可接受的盐以及其药物组合物。这些化合物可用于治疗由αvβ3和αvβ5整合素介导的病理条件，包括肿瘤生长、转移、再狭窄、骨质疏松、炎症、黄斑变性、糖尿病性视网膜病变和类风湿性关节炎等疾病。这些化合物具有通用的化学式I：1，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、m、n、i、j和k在此处被定义。
• SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS
  申请人：3-DIMENSIONAL PHARMACEUTICALS, INC.

  公开号：EP1390362A1

  公开（公告）日：2004-02-25
• US6872730B2
  申请人：——

  公开号：US6872730B2

  公开（公告）日：2005-03-29
• [EN] SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS<br/>[FR] BENZOFURANNES ET BENZOTHIOPHENES SUBSTITUES, PROCEDES DE FABRICATION ET PROCEDES D'UTILISATION EN TANT QU'ANTAGONISTES D'INTEGRINES
  申请人：ANACLERIO BETH M

  公开号：WO2002088118A1

  公开（公告）日：2002-11-07

  The present invention relates to novel substituted benzofurans and benzothiophenes compounds that are antagonists of alpha V(αv) integrins, for example agr;vβ3 and αvβ5 integrins, their pharmaceutically acceptable salts, and pharmaceutical compositions thereof. The compounds may be used in the treatment of pathological conditions mediated by αv6beta;5 integrins, including such conditions as tumor growth, metastasis, restenosis, osteoporosis, inflammation, macular degeneraion, diabetic retinopathy, and rheumatoid arthritis. The compounds have the general formula (I), where R?1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12, R13, R14¿, m, n, i, j an ka are defined herein.