t-butyl 2-[dihydrofuran-3(2H)-ylidene]hydrazinecarboxylate | 158020-60-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: t-butyl 2-[dihydrofuran-3(2H)-ylidene]hydrazinecarboxylate
• 英文别名: tert-butyl N-tetrahydrofuran-3-ylideneaminocarbamate；tert-butyl 2-(dihydrofuran-3(2H)-ylidene)hydrazine-1-carboxylate；tert-butyl 2-(dihydrofuran-3(2H)-ylidene)hydrazinecarboxylate；tert-butyl N-(oxolan-3-ylideneamino)carbamate
• CAS: 158020-60-1
• 化学式: C₉H₁₆N₂O₃
• mdl: MFCD28101538
• 分子量: 200.238
• InChiKey: ALEJVMJLMPXMQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  59.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  t-butyl 2-[dihydrofuran-3(2H)-ylidene]hydrazinecarboxylate 在 dimethylsulfide borane 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.0h， 以0.25 mmol的产率得到(四氢-3-呋喃基)肼盐酸盐
  参考文献：
  名称：

  [EN] COMPOUNDS USEFUL AS KINASE INHIBITORS
  [FR] COMPOSÉS UTILISÉS COMME INHIBITEURS DE KINASE

  摘要：

  这项发明涉及新颖的化合物。该发明的化合物是酪氨酸激酶抑制剂。具体来说，该发明的化合物可用作布鲁顿氏酪氨酸激酶（BTK）的抑制剂。该发明还考虑了利用这些化合物治疗通过抑制布鲁顿氏酪氨酸激酶可治疗的疾病，例如癌症、淋巴瘤、白血病和免疫性疾病。

  公开号：

  WO2017103611A1
• 作为产物：
  描述：

  二氢-3(2H)-呋喃酮 、 肼基甲酸叔丁酯 以 甲醇 为溶剂， 反应 12.0h， 以27.3 g的产率得到t-butyl 2-[dihydrofuran-3(2H)-ylidene]hydrazinecarboxylate
  参考文献：
  名称：

  PYRAZOLOQUINOLINE DERIVATIVES

  摘要：

  由以下化学式（I）表示的化合物和/或药理学上可接受的盐具有PDE9抑制作用，因此预期将提高脑内cGMP浓度。PDE9抑制作用和cGMP的增加导致学习和记忆行为的改善，化合物（I）具有作为治疗代理人用于阿尔茨海默病认知功能障碍的适用性。其中R1是氢原子；R2是芳香环基团等；R3是氢原子等；R4是氢原子；R5是氧杂环丙基团等；R6是氢原子。

  公开号：

  US20130143907A1

文献信息

• PYRAZOLOQUINOLINE DERIVATIVES
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US20130143907A1

  公开（公告）日：2013-06-06

  A compound and/or pharmacologically acceptable salt thereof represented by the formula (I) has PDE9 inhibitory action, so that the intracerebral cGMP concentration is anticipated to be elevated. The PDE9 inhibitory action and the increase in cGMP lead to the improvement of learning and memory behaviors, and the compound (I) has applicability as a therapeutic agent for cognitive dysfunctions in Alzheimer's disease. wherein R 1 is a hydrogen atom; R 2 is an aromatic ring group, etc.; R 3 is a hydrogen atom, etc; R 4 is a hydrogen atom; R 5 is an oxepanyl group, etc.; R 6 is a hydrogen atom.

  由以下化学式（I）表示的化合物和/或药理学上可接受的盐具有PDE9抑制作用，因此预期将提高脑内cGMP浓度。PDE9抑制作用和cGMP的增加导致学习和记忆行为的改善，化合物（I）具有作为治疗代理人用于阿尔茨海默病认知功能障碍的适用性。其中R1是氢原子；R2是芳香环基团等；R3是氢原子等；R4是氢原子；R5是氧杂环丙基团等；R6是氢原子。
• 1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ones and 1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-ones as PDE1 Inhibitors
  申请人：H. Lundbeck A/S

  公开号：US20170291901A1

  公开（公告）日：2017-10-12

  The present invention provides 1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ones and 1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-ones of formula (I) as PDE1 inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders.

  本发明提供了式(I)的1,5-二氢-4H-吡唑并[3,4-d]嘧啶-4-酮和1,5-二氢-4H-吡唑并[4,3-c]吡啶-4-酮作为PDE1抑制剂，并将它们用作药物，特别用于治疗神经退行性疾病和精神疾病。
• Pyrazoloquinoline derivatives
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US08563565B2

  公开（公告）日：2013-10-22

  A compound and/or pharmacologically acceptable salt thereof represented by the formula (I) has PDE9 inhibitory action, so that the intracerebral cGMP concentration is anticipated to be elevated. The PDE9 inhibitory action and the increase in cGMP lead to the improvement of learning and memory behaviors, and the compound (I) has a potential use of a therapeutic agent for cognitive dysfunctions in Alzheimer's disease. wherein R1 is a hydrogen atom; R2 is an aromatic ring group, etc.; R3 is a hydrogen atom, etc; R4 is a hydrogen atom; R5 is an oxepanyl group, etc.; R6 is a hydrogen atom.

  化合物及/或其药理学上可接受的盐，其化学式表示为(I)，具有PDE9抑制作用，因此预计可提高脑内cGMP浓度。PDE9抑制作用和cGMP的增加导致学习和记忆行为的改善，该化合物(I)具有作为治疗阿尔茨海默病认知功能障碍的潜在药物的可能性。 其中，R1为氢原子；R2为芳香环基团等；R3为氢原子等；R4为氢原子；R5为氧杂环戊基基团等；R6为氢原子。
• [EN] COMPOUNDS USEFUL AS KINASE INHIBITORS<br/>[FR] COMPOSÉS UTILISÉS COMME INHIBITEURS DE KINASE
  申请人：REDX PHARMA PLC

  公开号：WO2017103611A1

  公开（公告）日：2017-06-22

  This invention relates to novel compounds. The compounds of the invention are tyrosine kinase inhibitors. Specifically, the compounds of the invention are useful as inhibitors of Bruton's tyrosine kinase (BTK).The invention also contemplates the use of the compounds for treating conditions treatable by the inhibition of Bruton's tyrosine kinase, for example cancer, lymphoma, leukemia and immunological diseases.

  这项发明涉及新颖的化合物。该发明的化合物是酪氨酸激酶抑制剂。具体来说，该发明的化合物可用作布鲁顿氏酪氨酸激酶（BTK）的抑制剂。该发明还考虑了利用这些化合物治疗通过抑制布鲁顿氏酪氨酸激酶可治疗的疾病，例如癌症、淋巴瘤、白血病和免疫性疾病。
• Catalytic asymmetric hydrogenation of heterocyclic ketone-derived hydrazones, pronounced solvent effect on the inversion of configuration
  作者：Nizar Haddad、Bo Qu、Sonia Rodriguez、Lars van der Veen、Diana C. Reeves、Nina C. Gonnella、Heewon Lee、Nelu Grinberg、Shengli Ma、Dhileepkumar Krishnamurthy、Tobias Wunberg、Chris H. Senanayake

  DOI：10.1016/j.tetlet.2011.05.017

  日期：2011.7

  An enantioselective hydrogenation of hydrazones derived from heterocyclic ketones was developed with up to 85% ee. The enantiomeric purity was enriched to >99% ee by crystallization from EtOAc in >80% yield. Optimization studies have revealed a notable solvent effect that resulted in inversion of enantioselectivity from 85% ee in MeOH to -27% ee in DCE. The hydrazone geometry and possible hydrogenation via endocyclic alkene were examined as possible factors for the inversion of enantioselectivity. (C) 2011 Elsevier Ltd. All rights reserved.