(R)-1-(tert-butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid | 160347-90-0

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 谷氨酸类衍生物
• 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: (R)-1-(tert-butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid
• 英文别名: (R)-Boc-5-oxopyrrolidine-2-carboxylic acid；(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
• CAS: 160347-90-0
• 化学式: C₁₀H₁₅NO₅
• 分子量: 229.233
• InChiKey: MJLQPFJGZTYCMH-ZCFIWIBFSA-N

物化性质

• 熔点：
  111-116℃
• 沸点：
  425.8±38.0 °C(Predicted)
• 密度：
  1.304

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  83.9
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26
• 危险类别码：
  R36
• WGK Germany：
  3
• 海关编码：
  2933790090
• 危险标志：
  GHS07
• 危险性描述：
  H319
• 危险性防范说明：
  P305 + P351 + P338

反应信息

• 作为反应物：
  描述：

  肼基甲酸苄酯 、 (R)-1-(tert-butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid 在 三乙胺 、 氯甲酸异丁酯 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以80.1%的产率得到(R)-tert-butyl 2-(2-((benzyloxy)carbonyl)hydrazinecarbonyl)-5-oxopyrrolidine-1-carboxylate
  参考文献：
  名称：

  NOVEL ß-LACTAMASE INHIBITOR AND METHOD FOR PRODUCING SAME

  摘要：

  公开号：

  EP2857401B8

文献信息

• Structure-Activity Relationships of Neuromedin U.II. Highly Potent Analogs Substituted or Modified at the N-Terminus of Neuromedin U-8.
  作者：Tadashi HASHIMOTO、Katsuro KUROSAWA、Naoki SAKURA

  DOI：10.1248/cpb.43.1154

  日期：——

  structure-contractile activity relationship of neuromedin U-8(NMU-8), seventeen analogs were synthesized and tested for contractile activity on isolated chicken crop smooth muscle preparations. The analogs were designed to examine the contributions of cyclic structure and acidic function at the N-terminal of NMU-8 and NMU-8(2--8) to the biological activity. The relative activity (RA) values of NMU-8

  为了开发一种高效的激动剂并检查神经调节素U-8（NMU-8）的结构-收缩活性关系，合成了17种类似物并测试了其对分离的鸡作物平滑肌制剂的收缩活性。设计类似物以检查NMU-8和NMU-8（2--8）N末端的环状结构和酸性功能对生物活性的贡献。NMU-8类似物的相对活性（RA）值如下：[Dp-Glu1] -NMU-8，5.50； [Dp-Glu1] -NMU-8，5.50。[焦磷酸谷氨酰（pHgu）1] -NMU-8，4.65； [D-pHgu1] -NMU-8，4.66；[Asp1] -NMU-8，11.4；[乙酰基（Ac）-Asp1] -NMU-8，9.81； m / z。[Ac-Glu1]-NMU-8，18.6； m / z。[琥珀酰（Suc）-Tyr1-NMU-8,69.3; [3-磺基丙氨酰基（Sal）1] -NMU-8，12.7。NMU-8（2--8）类似物的RA值如下：α-吡啶甲
• LFA-1 Antagonist compounds
  申请人：GENENTECH, INC

  公开号：US20020119994A1

  公开（公告）日：2002-08-29

  The invention relates to novel compounds having formula (I) 1 wherein Cy, X, Y, L and R 1-6 are as defined herein. The compounds bind CD11/CD10 adhesion receptors such as Lymphocyte Function-associated Antigen-1 (LFA-1) and are therefore useful for treating disorders mediated by LFA-1 such as inflammation and autoimmune diseases.

  该发明涉及具有式(I)的新化合物，其中Cy、X、Y、L和R1-6的定义如本文所述。这些化合物结合CD11/CD10黏附受体，如淋巴细胞功能相关抗原-1（LFA-1），因此可用于治疗由LFA-1介导的炎症和自身免疫性疾病等疾病。
• NOVEL BETA-LACTAMASE INHIBITOR AND PROCESS FOR PREPARING THE SAME
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US20150141401A1

  公开（公告）日：2015-05-21

  A diazabicyclooctane compound, which is a beta-lactame inhibitor, represented by the following formula (I): wherein A represents Ra(Rb)N— or RcO—; B represents NH or NC 1-6 alkyl; C represents benzyl, H or SO 3 M, wherein M represents H, an inorganic or an organic cation; Ra and Rb represent H, C 1-6 alkyl or acyl; Rc represents C 1-6 alkyl or a heterocyclyl; A is unsubstituted or substituted with 0 to 4 substituents Fn1, wherein Fn1 represents C 1-6 alkyl, O═, or Rg-(CH 2 ) 0-3 —, wherein Rg represents a heterocyclyl, phenyl, heteroaryl, acyl, RdO 2 S—, Re(Rf)N—, Re(Rf)NCO—, ReO—, ReOCO— or a protective group, wherein Rd represents C 1-6 alkyl or MO—; Re and Rf represent H or C 1-6 alkyl, and a heterocycle having at least one nitrogen atom may be formed between Ra and Rb, between Rc and B, or between Re and Rf.

  这是一种二氮杂双环辛烷化合物，是一种β-内酰胺酶抑制剂，化学式为(I)，其中A代表Ra(Rb)N—或RcO—；B代表NH或NC1-6烷基；C代表苄基、氢或SO3M，其中M代表氢、无机或有机阳离子；Ra和Rb代表氢、C1-6烷基或酰基；Rc代表C1-6烷基或杂环基；A未被取代或被0至4个取代基Fn1取代，其中Fn1代表C1-6烷基、O═或Rg-(CH2)0-3—，其中Rg代表杂环基、苯基、杂环芳基、酰基、RdO2S—、Re(Rf)N—、Re(Rf)NCO—、ReO—、ReOCO—或保护基，其中Rd代表C1-6烷基或MO—；Re和Rf代表氢或C1-6烷基，Ra和Rb之间、Rc和B之间或Re和Rf之间可以形成至少一个含有氮原子的杂环。
• Beta-lactamase inhibitor and process for preparing the same
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US09181250B2

  公开（公告）日：2015-11-10

  A diazabicyclooctane compound, which is a beta-lactame inhibitor, represented by the following formula (I): wherein A represents Ra(Rb)N— or RcO—; B represents NH or NC1-6 alkyl; C represents benzyl, H or SO3M, wherein M represents H, an inorganic or an organic cation; Ra and Rb represent H, C1-6 alkyl or acyl; Rc represents C1-6 alkyl or a heterocyclyl; A is unsubstituted or substituted with 0 to 4 substituents Fn1, wherein Fn1 represents C1-6 alkyl, O═, or Rg-(CH2)0-3—, wherein Rg represents a heterocyclyl, phenyl, heteroaryl, acyl, RdO2S—, Re(Rf)N—, Re(Rf)NCO—, ReO—, ReOCO— or a protective group, wherein Rd represents C1-6 alkyl or MO—; Re and Rf represent H or C1-6 alkyl, and a heterocycle having at least one nitrogen atom may be formed between Ra and Rb, between Rc and B, or between Re and Rf.

  一种二氮杂双环辛烷化合物，是一种β-内酰胺酶抑制剂，由以下式子(I)表示：其中A代表Ra(Rb)N—或RcO—; B代表NH或NC1-6烷基; C代表苄基、H或SO3M，其中M代表H、无机或有机阳离子; Ra和Rb代表H、C1-6烷基或酰基; Rc代表C1-6烷基或杂环烷基; A未取代或取代有0-4个Fn1取代基，其中Fn1代表C1-6烷基、O═或Rg-(CH2)0-3—，其中Rg代表杂环烷基、苯基、杂环芳基、酰基、RdO2S—，Re(Rf)N—，Re(Rf)NCO—，ReO—，ReOCO—或保护基，其中Rd代表C1-6烷基或MO—; Re和Rf代表H或C1-6烷基，且在Ra和Rb之间、Rc和B之间或Re和Rf之间可以形成至少一个含有氮原子的杂环。
• BETA-LACTAMASE INHIBITOR AND PROCESS FOR PREPARING THE SAME
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US20160024090A1

  公开（公告）日：2016-01-28

  A diazabicyclooctane compound, which is a beta-lactame inhibitor, represented by the following formula (I): wherein A represents Ra(Rb)N— or RcO—; B represents NH or NC 1-6 alkyl; C represents benzyl, H or SO 3 M, wherein M represents H, an inorganic or an organic cation; Ra and Rb represent H, C 1-6 alkyl or acyl; Rc represents C 1-6 alkyl or a heterocyclyl; A is unsubstituted or substituted with 0 to 4 substituents Fn1, wherein Fn1 represents C 1-6 alkyl, O═, or Rg-(CH 2 ) 0-3 —, wherein Rg represents a heterocyclyl, phenyl, heteroaryl, acyl, RdO 2 S—, Re(Rf)N—, Re(Rf)NCO—, ReO—, ReOCO— or a protective group, wherein Rd represents C 1-6 alkyl or MO—; Re and Rf represent H or C 1-6 alkyl, and a heterocycle having at least one nitrogen atom may be formed between Ra and Rb, between Rc and B, or between Re and Rf.

  一种二氮杂双环辛烷化合物，其为β-内酰胺酶抑制剂，由以下式子（I）表示：其中，A代表Ra（Rb）N-或RcO-；B代表NH或NC1-6烷基；C代表苄基、H或SO3M，其中M代表H、无机或有机阳离子；Ra和Rb代表H、C1-6烷基或酰基；Rc代表C1-6烷基或杂环基；A未被取代或被0至4个Fn1取代，其中Fn1代表C1-6烷基、O═或Rg-(CH2)0-3-，其中Rg代表杂环基、苯基、杂环芳基、酰基、RdO2S-、Re(Rf)N-、Re(Rf)NCO-、ReO-、ReOCO-或保护基，其中Rd代表C1-6烷基或MO-；Re和Rf代表H或C1-6烷基，Ra和Rb之间、Rc和B之间或Re和Rf之间可以形成至少一个含有氮原子的杂环。