(2S)-2-tert-butoxycarbonylamino-butanedioic acid diamide | 105136-28-5

• 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: (2S)-2-tert-butoxycarbonylamino-butanedioic acid diamide
• 英文别名: (2S)-2-tert-butoxycarbonylaminobutanedioic acid diamide；tert-butyl N-[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]carbamate
• CAS: 105136-28-5
• 化学式: C₉H₁₇N₃O₄
• mdl: MFCD00744360
• 分子量: 231.252
• InChiKey: DVBNTRUNEKAQSQ-YFKPBYRVSA-N

物化性质

• 沸点：
  507.7±45.0 °C(Predicted)
• 密度：
  1.208±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  125
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Acetic acid (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(9-amino-nonylcarbamoyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysen-9-yl ester 、 (2S)-2-tert-butoxycarbonylamino-butanedioic acid diamide 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 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  New Betulinic Acid Derivatives for Bevirimat-Resistant Human Immunodeficiency Virus Type-1

  摘要：

  Bevirimat (1, BVM) is an anti-HIV agent that blocks HIV-1 replication by interfering with HIV-1 Gag-SP1 processing at a late stage of viral maturation. However, clinical trials of 1 have revealed a high baseline drug resistance that is attributed to naturally occurring polymorphisms in HIV-1 Gag. To overcome the drug resistance, 28 new derivatives of 1 were synthesized and tested against compound 1-resistant (BVM-R) HIV-1 variants. Among them, compound 6 exhibited much improved activity against several HIV-1 strains carrying BVM-R polymorphisms. Compound 6 was at least 20-fold more potent than 1 against the replication of NL4-3/V370A, which carries the most prevalent clinical BVM-R polymorphism in HIV-1 Gag-SP1. Thus, compound 6 merits further development as a potential anti-AIDS clinical trial candidate.

  DOI：

  10.1021/jm3016969
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 Boc-L-天冬氨酸 在 吡啶 、 碳酸氢铵 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以69%的产率得到(2S)-2-tert-butoxycarbonylamino-butanedioic acid diamide
  参考文献：
  名称：

  STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES

  摘要：

  这项发明涉及二醛或二腈化合物，可用于对哌啶、吡咯烷和氮杂环庚烷衍生物进行立体选择性合成。

  公开号：

  US20100152452A1

文献信息

• Prodrugs of Propofol, Compositions and Uses Thereof
  申请人：Xu Feng

  公开号：US20090005352A1

  公开（公告）日：2009-01-01

  The present invention provides propofol prodrugs, methods of making propofol prodrugs, pharmaceutical compositions of propofol prodrugs and methods of using propofol prodrugs and pharmaceutical compositions thereof to treat or prevent diseases or disorders such as migraine headache pain and post-chemotherapy or post-operative surgery nausea and vomiting.

  本发明提供丙泊酚前药、制备丙泊酚前药的方法、丙泊酚前药的制药组合物以及使用丙泊酚前药和制药组合物治疗或预防类似偏头痛头痛、化疗后或手术后恶心和呕吐等疾病或疾病的方法。
• Proteasome inhibitors and methods of using the same
  申请人：Bernadini Raffaella

  公开号：US20050107307A1

  公开（公告）日：2005-05-19

  The present invention provides boronic acid compounds, boronic esters, and compositions thereof that can modulate apoptosis such as by inhibition of proteasome activity. The compounds and compositions can be used in methods of inducing apoptosis and treating diseases such as cancer and other disorders associated directly of indirectly with proteasome activity.

  本发明提供了硼酸化合物、硼酸酯及其组合物，可以通过抑制蛋白酶体活性等方式调节细胞凋亡。这些化合物和组合物可以用于诱导细胞凋亡并治疗癌症等疾病，以及与蛋白酶体活性直接或间接相关的其他疾病。
• Prodrugs of propofol, compositions and uses thereof
  申请人：Xu Feng

  公开号：US20060041011A1

  公开（公告）日：2006-02-23

  The present invention provides propofol prodrugs, methods of making propofol prodrugs, pharmaceutical compositions of propofol prodrugs and methods of using propofol prodrugs and pharmaceutical compositions thereof to treat or prevent diseases or disorders such as migraine headache pain and post-chemotherapy or post-operative surgery nausea and vomiting.

  本发明提供了丙泊酚的前药，制备丙泊酚前药的方法，丙泊酚前药的制药组合物以及使用丙泊酚前药和制药组合物治疗或预防偏头痛头痛和化疗后或手术后恶心和呕吐等疾病或疾患的方法。
• PROTEASOME INHIBITORS AND METHODS OF USING THE SAME
  申请人：Bernardini Raffaella

  公开号：US20090291918A1

  公开（公告）日：2009-11-26

  The present invention provides boronic acid compounds, boronic esters, and compositions thereof that can modulate apoptosis such as by inhibition of proteasome activity. The compounds and compositions can be used in methods of inducing apoptosis and treating diseases such as cancer and other disorders associated directly of indirectly with proteasome activity.

  本发明提供了硼酸化合物、硼酸酯及其组合物，可以调节细胞凋亡，例如通过抑制蛋白酶体活性。这些化合物和组合物可以用于诱导细胞凋亡和治疗癌症及其他与蛋白酶体活性直接或间接相关的疾病。
• Proteasome Inhibitors and Methods of Using the Same
  申请人：Bernardini Raffaella

  公开号：US20120041196A1

  公开（公告）日：2012-02-16

  The present invention provides boronic acid compounds, boronic esters, and compositions thereof that can modulate apoptosis such as by inhibition of proteasome activity. The compounds and compositions can be used in methods of inducing apoptosis and treating diseases such as cancer and other disorders associated directly of indirectly with proteasome activity.

  本发明提供了硼酸化合物、硼酸酯及其组合物，可以调节凋亡，例如通过抑制蛋白酶体活性。这些化合物和组合物可以用于诱导凋亡和治疗癌症以及其他与蛋白酶体活性直接或间接相关的疾病的方法。