2-Benzyl-5-oxooxolane-2-carboxylic acid | 364368-78-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-Benzyl-5-oxooxolane-2-carboxylic acid
• CAS: 364368-78-5
• 化学式: C₁₂H₁₂O₄
• 分子量: 220.225
• InChiKey: BTPPRYXIACOMCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-amino-N-[(R)-1-(4-fluorophenyl)ethyl]-5-(methanesulfonyl(methyl)amino)benzamide 、 2-Benzyl-5-oxooxolane-2-carboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以26.4 mg的产率得到5-oxo-2-phenethyltetrahydrofuran-2-carboxylic acid [3-[(R)-1-(4-fluorophenyl)ethylcarbamoyl]-5-(methanesulfonylmethylamino)phenyl]amide
  参考文献：
  名称：

  Design and synthesis of BACE-1 inhibitors utilizing a tertiary hydroxyl motif as the transition state mimic

  摘要：

  Two series of drug-like BACE-1 inhibitors with a shielded tertiary hydroxyl as transition state isostere have been synthesized. The most potent inhibitor exhibited a BACE-1 IC50 value of 0.23 mu M. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.065
• 作为产物：
  描述：

  3-(4-benzyl-2,2-dimethyl-5-oxo-[1,3]dioxolan-4-yl)propionic acid methyl ester 在 水 、 三氟乙酸 作用下， 生成 2-Benzyl-5-oxooxolane-2-carboxylic acid
  参考文献：
  名称：

  Design and synthesis of BACE-1 inhibitors utilizing a tertiary hydroxyl motif as the transition state mimic

  摘要：

  Two series of drug-like BACE-1 inhibitors with a shielded tertiary hydroxyl as transition state isostere have been synthesized. The most potent inhibitor exhibited a BACE-1 IC50 value of 0.23 mu M. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.065

文献信息

• Selective preventives/remedies for progressive lesions after organ damage
  申请人：——

  公开号：US20030181506A1

  公开（公告）日：2003-09-25

  An object of the present invention is to provide a pharmaceutical agents for preventing and/or treating the progressive lesion after the organic damage without inhibiting organic function or regeneration function thereof, by selectively suppressing the induction of cytotoxic effector macrophages which are induced into the damaged organs in response to chemokines and cytokines which are expressed depending on the type of damaged organic tissues.

  本发明的目的是提供一种药物制剂，用于在有机损伤后预防和/或治疗渐进性病变，而不抑制有机功能或再生功能，通过选择性抑制细胞毒性效应巨噬细胞的诱导，这些巨噬细胞是在损伤的器官中受化学因子和细胞因子诱导而表达的，这些化学因子和细胞因子取决于损伤的有机组织的类型。
• Hiv Protease Inhibitors
  申请人：Ekegren Jenny

  公开号：US20080249102A1

  公开（公告）日：2008-10-09

  Compounds of the formula I: wherein R 1 , R 2 , X and N are as defined in the specification; E is N, CH; A′ and A″ are terminal groups as defined in the specification. The compounds have utility as HIV-1 protease inhibitors.

  化合物的公式I： 其中R1，R2，X和N如规范中定义；E为N，CH；A'和A''为规范中定义的末端基团。 这些化合物具有作为HIV-1蛋白酶抑制剂的实用性。
• SELECTIVE PREVENTIVES/REMEDIES FOR PROGRESSIVE LESIONS AFTER ORGAN DAMAGE
  申请人：Ishibashi, Michio

  公开号：EP1277747A1

  公开（公告）日：2003-01-22

  An object of the present invention is to provide a pharmaceutical agents for preventing and/or treating the progressive lesion after the organic damage without inhibiting organic function or regeneration function thereof, by selectively suppressing the induction of cytotoxic effector macrophages which are induced into the damaged organs in response to chemokines and cytokines which are expressed depending on the type of damaged organic tissues.

  本发明的目的是提供一种药剂，通过选择性地抑制细胞毒性效应巨噬细胞的诱导，预防和/或治疗机体损伤后的进行性病变，而不抑制机体功能或其再生功能。
• Selective preventing and therapeutic agents for progressive lesion after organic damage
  申请人：Ishibashi Michio

  公开号：US20050143453A1

  公开（公告）日：2005-06-30

  An object of the present invention is to provide a pharmaceutical agents for preventing and/or treating the progressive lesion after the organic damage without inhibiting organic function or regeneration function thereof, by selectively suppressing the induction of cytotoxic effector macrophages which are induced into the damaged organs in response to chemokines and cytokines which are expressed depending on the type of damaged organic tissues.

  本发明的目的是提供一种药剂，通过选择性地抑制细胞毒性效应巨噬细胞的诱导，预防和/或治疗机体损伤后的进行性病变，而不抑制机体功能或其再生功能。
• HIV PROTEASE INHIBITORS
  申请人：MEDIVIR AB

  公开号：EP1851193A1

  公开（公告）日：2007-11-07