Methyl (2S)-3-{3'-[(2-ethoxy-3,4-dioxo-1-cyclobuten-1-yl)-amino][1,1'-biphenyl]-4-yl}-2-mesitylsulfonylamino-propanoate | 276258-95-8

• 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: Methyl (2S)-3-{3'-[(2-ethoxy-3,4-dioxo-1-cyclobuten-1-yl)-amino][1,1'-biphenyl]-4-yl}-2-mesitylsulfonylamino-propanoate
• 英文别名: Methyl (2S)-3-{3'-[(2-ethoxy-3,4-dioxo-1-cyclobuten-1-yl) amino][1,1'-biphenyl]-4-yl}-2-mesitylsulfonylamino-propanoate；methyl (2S)-3-[4-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
• CAS: 276258-95-8
• 化学式: C₃₁H₃₂N₂O₇S
• 分子量: 576.67
• InChiKey: ARRDGSOOAZKOIE-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  136
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Methyl (2S)-3-{3'-[(2-ethoxy-3,4-dioxo-1-cyclobuten-1-yl)-amino][1,1'-biphenyl]-4-yl}-2-mesitylsulfonylamino-propanoate 、 环丙胺 以 异丙醇 为溶剂， 反应 2.0h， 生成 Methyl (2S)-3-(3'-{[2-(cyclopropylamino)-3,4-dioxo-1-cyclobuten-1-yl]-amino}[1,1'-biphenyl]-4-yl)-2-[(mesitylsulfonyl)amino]-propanoate
  参考文献：
  名称：

  NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS

  摘要：

  公开号：

  EP1140809B1
• 作为产物：
  描述：

  methyl (2S)-3-(3'-amino[1,1'-biphenyl]-4-yl)-2-mesitylsulfonylamino-propanoate 、 方酸二乙酯 在 ethyl acetate dichloromethane 作用下， 以 丙醇 为溶剂， 反应 20.0h， 以yielded 1,5 g of the title compound的产率得到Methyl (2S)-3-{3'-[(2-ethoxy-3,4-dioxo-1-cyclobuten-1-yl)-amino][1,1'-biphenyl]-4-yl}-2-mesitylsulfonylamino-propanoate
  参考文献：
  名称：

  New biphenyl and biphenyl-analogous compounds as integrin antagonists

  摘要：

  本发明涉及联苯和联苯类似化合物，其制备和用作药物组成物，作为整合素拮抗剂，特别是用于制备用于治疗和预防癌症、动脉硬化、再狭窄、骨质疏松等骨溶解性疾病和眼科疾病的药物组成物。本发明的化合物具有式（1）其中R1、R2、U、V、A、B、W、R3、C和R4的含义如权利要求中所定义。

  公开号：

  US20040030132A1

文献信息

• New biphenyl and biphenyl-analogous compounds as integrin antagonists
  申请人：——

  公开号：US20040030132A1

  公开（公告）日：2004-02-12

  The present invention relates to biphenyl and biphenyl-analogous compounds, their preparation and use as pharmaceutical compositions, as integrin antagonists and in particular for the production of pharmaceutical compositions for the treatment and prophylaxis of cancer, arteriosclerosis, restenosis, osteolytic disorders such as osteoporosis and ophthalmic diseases. The compounds according to the invention have the formula (1) 1 wherein R 1 , R 2 , U, V, A, B, W, R 3 , C and R 4 have the meaning as defined in the claims.

  本发明涉及联苯和联苯类似化合物，其制备和用作药物组成物，作为整合素拮抗剂，特别是用于制备用于治疗和预防癌症、动脉硬化、再狭窄、骨质疏松等骨溶解性疾病和眼科疾病的药物组成物。本发明的化合物具有式（1）其中R1、R2、U、V、A、B、W、R3、C和R4的含义如权利要求中所定义。
• Biphenyl and biphenyl-analogous compounds as integrin antagonists
  申请人：Bayer Aktiengesellschaft

  公开号：US07094911B2

  公开（公告）日：2006-08-22

  The present invention relates to biphenyl and biphenyl-analogous compounds, their preparation and use as pharmaceutical compositions, as integrin antagonists and in particular for the production of pharmaceutical compositions for the treatment and prophylaxis of cancer, arteriosclerosis, restenosis, osteolytic disorders such as osteoporosis and ophthalmic diseases. The compounds according to the invention have the formula (1) wherein R1, R2, U, V, A, B, W, R3, C and R4 have the meaning as defined in the claims.

  本发明涉及联苯和类似联苯化合物，其制备和用作药物组合物，作为整合素拮抗剂，特别是用于生产用于治疗和预防癌症、动脉硬化、再狭窄、骨溶解性疾病，如骨质疏松症和眼科疾病的药物组合物。本发明的化合物具有公式（1），其中R1、R2、U、V、A、B、W、R3、C和R4的含义如权利要求所定义。
• NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS
  申请人：Bayer HealthCare AG

  公开号：EP1140809B1

  公开（公告）日：2005-08-31
• Biphenyls as potent vitronectin receptor antagonists. Part 3: Squaric acid amides
  作者：Klaus Urbahns、Michael Härter、Markus Albers、Delf Schmidt、Beatrix Stelte-Ludwig、Ulf Brüggemeier、Andrea Vaupel、Jörg Keldenich、Klemens Lustig、Hideki Tsujishita、Christoph Gerdes

  DOI：10.1016/j.bmcl.2007.09.039

  日期：2007.11

  Vitronectin receptor (alpha(V)beta 3) antagonists have been implicated as a possible new treatment of restenosis following balloon angioplasty. In this work we investigate a series of novel arginine mimetic scaffolds leading to new insight of the alpha(V)beta 3/ligand interaction. Squaric acid amide 10 is a subnanomolar alpha(V)beta 3 antagonist with improved potency on human smooth muscle cell migration. (C) 2007 Elsevier Ltd. All rights reserved.