ethyl (E,4S)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoate | 1309563-22-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl (E,4S)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoate
• CAS: 1309563-22-1
• 化学式: C₁₃H₂₃NO₄
• 分子量: 257.33
• InChiKey: OYRUHWXYCFQXAN-DDXVTDLHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl (E,4S)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoate 在 palladium over charcoal 氢气 、 三乙胺 作用下， 生成 tert-butyl N-[(2S)-5-azidopentan-2-yl]-N-methylcarbamate
  参考文献：
  名称：

  WO2006/116764

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl (S)-N-(1-hydroxypropan-2-yl)-N-methylcarbamate 在 sodium hypochlorite 、 2,2,6,6-四甲基哌啶氧化物 、 potassium tert-butylate 、 碳酸氢钠 、 potassium bromide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 ethyl (E,4S)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoate
  参考文献：
  名称：

  [EN] FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2
  [FR] DÉRIVÉS DE QUINAZOLINE TÉTRACYCLIQUES FUSIONNÉS UTILISÉS EN TANT QU'INHIBITEURS D'ERBB2

  摘要：

  The present disclosure relates generally to compounds and compositions thereof for inhibition of ErbB2, including mutant forms of ErbB2, particularly those harboring an Exon 20 mutation, methods of preparing said compounds and compositions, and their use in the treatment or prophylaxis of various cancers, such as lung, glioma, skin, head neck, salivary gland, breast, esophageal, liver, stomach (gastric), uterine, cervical, biliary tract, pancreatic, colorectal, renal, bladder or prostate cancer.

  公开号：

  WO2023081637A1

文献信息

• Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity
  申请人：Johns Brian Alvin

  公开号：US20090318421A1

  公开（公告）日：2009-12-24

  The present invention is to provide a novel compound (I) shown below, having the anti-virus activity, particularly the HIV integrase inhibitory activity, and a drug containing the same, particularly an anti-HIV drug, as well as a process and an intermediate thereof. (wherein Z 1 is NR 4 ; R 1 is hydrogen or lower alkyl; X is a single bond, a hetero atom group selected from O, S, SO, SO 2 and NH, or lower alkylene or lower alkenylene in which the hetero atom group may intervene; R 2 is optionally substituted aryl; R 3 is hydrogen, a halogen, hydroxy, optionally substituted lower alkyl etc; and R 4 and Z 2 part taken together forms a ring, to form a polycyclic compound, including e.g., a tricyclic or tetracyclic compound.

  本发明提供了一种新型化合物(I)，如下所示，具有抗病毒活性，特别是HIV整合酶抑制活性，以及含有该化合物的药物，特别是抗HIV药物，以及其制备方法和中间体。(其中Z1为NR4;R1为氢或低碳基;X为单键，从O、S、SO、SO2和NH中选择的杂原子基团，或低碳基或低碳烯基，在其中杂原子基团可以介入;R2为可选取代芳基;R3为氢、卤素、羟基、可选取代的低碳基等;R4和Z2共同形成环，形成多环化合物，包括例如三环或四环化合物。
• POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY
  申请人：Johns Brian Alvin

  公开号：US20120115875A1

  公开（公告）日：2012-05-10

  The present invention is to provide a novel compound (I) shown below, having the anti-virus activity, particularly the HIV integrase inhibitory activity, and a drug containing the same, particularly an anti-HIV drug, as well as a process and an intermediate thereof. (wherein Z 1 is NR 4 ; R 1 is hydrogen or lower alkyl; X is a single bond, a hetero atom group selected from O, S, SO, SO 2 and NH, or lower alkylene or lower alkenylene in which the hetero atom group may intervene; R 2 is optionally substituted aryl; R 3 is hydrogen, a halogen, hydroxy, optionally substituted lower alkyl etc; and R 4 and Z 2 part taken together forms a ring, to form a polycyclic compound, including e.g., a tricyclic or tetracyclic compound.

  本发明提供了一种新型化合物（I），其具有抗病毒活性，特别是HIV整合酶抑制活性，以及含有该化合物的药物，特别是抗HIV药物，以及其制备方法和中间体。（其中Z1为NR4；R1为氢或低碳基；X为单键，从O、S、SO、SO2和NH中选择的杂原子基团，或低碳基或低碳烯基，其中杂原子基团可以介入；R2为可选取代芳基；R3为氢、卤素、羟基、可选取代的低碳基等；R4和Z2共同形成环，形成多环化合物，包括三环或四环化合物等。）
• SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS
  申请人：Shionogi & Co., Ltd.

  公开号：US20160137666A1

  公开（公告）日：2016-05-19

  The present invention is to provide a novel compound (I) shown below, having the anti-virus activity, particularly the HIV integrase inhibitory activity, and a drug containing the same, particularly an anti-HIV drug, as well as a process and an intermediate thereof. (wherein Z 1 is NR 4 ; R 1 is hydrogen or lower alkyl; X is a single bond, a hetero atom group selected from O, S, SO, SO 2 and NH, or lower alkylene or lower alkenylene in which the hetero atom group may intervene; R 2 is optionally substituted aryl; R 3 is hydrogen, a halogen, hydroxy, optionally substituted lower alkyl etc; and R 4 and Z 2 part taken together forms a ring, to form a polycyclic compound, including e.g., a tricyclic or tetracyclic compound.

  本发明提供了一种新型化合物(I)，如下所示，具有抗病毒活性，特别是HIV整合酶抑制活性，以及含有该化合物的药物，特别是抗HIV药物，以及其制备方法和中间体。(其中Z1为NR4;R1为氢或低碳基;X为单键，从O、S、SO、SO2和NH中选择的杂原子基团，或杂原子基团可能介入的低碳基或低烯基;R2为可选取代芳基;R3为氢、卤素、羟基、可选取代的低碳基等;R4和Z2共同形成环，形成多环化合物，包括三环或四环化合物等)。
• N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3] oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide having HIV integrase inhibitory activity
  申请人：Shionogi & Co., Ltd.

  公开号：US10927129B2

  公开（公告）日：2021-02-23

  The present invention is directed to N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide of the formula: or a pharmaceutically acceptable salt or stereoisomer thereof, and pharmaceutical compositions comprising the same. The present invention has HIV integrase inhibitory activity.

  本发明涉及式中的 N-[(2,4-二氟苯基)甲基]-6-羟基-3-甲基-5,7-二氧代-2,3,5,7,11,11a-六氢[1,3]恶唑并[3,2-a]吡啶并[1,2-d]吡嗪-8-甲酰胺： 或其药学上可接受的盐或立体异构体，以及由其组成的药物组合物。本发明具有抑制艾滋病毒整合酶的活性。
• N-[(2,4-DIFLUOROPHENYL)METHYL]-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11a-HEXAHYDRO[1,3]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINE-8-CARBOXAMIDE HAVING HIV INTEGRASE INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：US20190284208A1

  公开（公告）日：2019-09-19

  The present invention is to provide a novol compound (I) shown below, having the anti-virus activity; particularly the HIV integrase inhibitory activity, and a drug containing the same, particularly an anti-HIV drug, as well as a process and an intermediate thereof. (wherein Z 1 is NR 4 ; R 1 is hydrogen or lower alkyl; X′ is a single bond, a hetoro atom group selected from O, S, SO, SO 2 and NH, or lower alkylene or lower alkenylene in which the hetero atom group may intervene; R 2 is optionally substituted aryl; R 3 is hydrogen, a halogen, hydroxy, optionally substituted lower alkyl etc; and R 4 and Z 2 part taken together forms a ring, to form a polycyclic compound; including e.g., a tricyclic or tetracyclic compound.