1-cyclobutylprop-2-en-1-one | 75040-32-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-cyclobutylprop-2-en-1-one
• CAS: 75040-32-3
• 化学式: C₇H₁₀O
• 分子量: 110.156
• InChiKey: WMOHIAZZKAITHJ-UHFFFAOYSA-N

物化性质

• 沸点：
  166.8±9.0 °C(Predicted)
• 密度：
  0.967±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-cyclobutylprop-2-en-1-one 在 正丁基锂 、 lithium chloride 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成
  参考文献：
  名称：

  Dissociated Nonsteroidal Glucocorticoid Receptor Modulators; Discovery of the Agonist Trigger in a Tetrahydronaphthalene−Benzoxazine Series

  摘要：

  The tetrahydronaphthalene-benzoxazine glucocorticoid receptor (GR) partial agonist 4b was optimized to produce potent full agonists of GR. Aromatic ring substitution of the tetrahydronaphthalene leads to weak GR antagonists. Discovery of an "agonist trigger" substituent on the saturated ring of the tetrahydronaphthalene leads to increased potency and efficacious GR agonism. These compounds are efficacy selective in an NFkB GR agonist assay ( representing transrepression effects) over an MMTV GR agonist assay ( representing transactivation effects). 52 and 60 have NFkB pIC(50) = 8.92 (105%) and 8.69 (92%) and MMTV pEC(50) = 8.20 (47%) and 7.75 (39%), respectively. The impact of the trigger substituent on agonism is modeled within GR and discussed. 36, 52, and 60 have anti-inflammatory activity in a mouse model of inflammation after topical dosing with 52 and 60, having an effect similar to that of dexamethasone. The original lead was discovered by a manual agreement docking method, and automation of this method is also described.

  DOI：

  10.1021/jm060302x
• 作为产物：
  描述：

  环丁基溴 、 丙烯酰氯 在 四(三苯基膦)钯 锌 作用下， 以 四氢呋喃 为溶剂， 反应 1.08h， 生成 1-cyclobutylprop-2-en-1-one
  参考文献：
  名称：

  [EN] SUBSTITUTED OXAZINES AS GLUCOCORTICOID RECEPTOR MODULATORS
  [FR] OXAZINES SUBSTITUEES UTILISEES COMME MODULATEURS DU RECEPTEUR GLUCOCORTICOIDE

  摘要：

  本发明涉及以下式（I）化合物，其中R1代表C3-6环烷基基团；或其生理功能衍生物，包括该化合物的药物组合物，该化合物用于制造特别用于治疗炎症和/或过敏症的药物，该化合物的制备方法，以及用于制造该化合物的过程中的化学中间体。

  公开号：

  WO2006000401A1

文献信息

• Derivates of Polyethylene Glycol Modified Thymosin Alpha 1
  申请人：Zhong Huijuan

  公开号：US20100184653A1

  公开（公告）日：2010-07-22

  Pharmaceutical compositions that include thymosin alpha 1 peptide derivatives modified at the C-terminal of the peptide chain with polyethylene glycol, and their pharmaceutical acceptable salts, are generally disclosed. Also, new methods used to prepare these thymosin alpha 1 peptide derivatives modified at the C-terminal of the peptide chain with polyethylene glycol are generally provided. The presently disclosed compounds and their salts can be prepared administered to humans to treat immune disease and can also be used in adjuvant treatment.

  包括在肽链的C端修饰了聚乙二醇的胸腺素α1肽衍生物的药物组合物以及其药用可接受的盐通常被披露。此外，通常提供了用于制备这些在肽链的C端修饰了聚乙二醇的胸腺素α1肽衍生物的新方法。目前披露的化合物及其盐可被制备并用于治疗免疫疾病，并可用于辅助治疗。
• [EN] PYRAZOLIDINONE COMPOUNDS AS LIGANDS OF THE PROSTAGLANDIN EP2 AND/OR EP4 RECEPTORS<br/>[FR] COMPOSES DE PYRAZOLIDINONE UTILISES COMME LIGANDS DES RECEPTEURS EP2 ET/OU EP4 AUX PROSTAGLANDINES
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2003035064A1

  公开（公告）日：2003-05-01

  The invention provides substituted pyrazolidinone compounds, and methods of treatment and pharmaceutical compositions that utilize or comprise one or more such compounds. Compounds of the invention are useful for a variety of therapies, including treating or preventing preterm labor, dysmenorrhea, asthma, hypertension, infertility or fertility disorder, undesired blood clotting, preeclampsia or eclampsia, an eosinophil disorder, sexual dysfunction, osteporosis and other destructive bone disease or disorder, and other diseases and disorders associated with the prostaglandin EP2 and/or EP4 receptors.

  本发明提供了取代吡唑烷酮化合物，以及利用或包含一个或多个这样的化合物的治疗方法和制药组合物。本发明的化合物可用于多种治疗，包括治疗或预防早产、痛经、哮喘、高血压、不孕或生育障碍、不良血液凝块、先兆子痫或子痫、嗜酸性粒细胞障碍、性功能障碍、骨质疏松症和其他破坏性骨疾病或障碍，以及与前列腺素EP2和/或EP4受体相关的其他疾病和障碍。
• Pyrazolidinone compounds as ligands of the prostaglandin ep2 and/or ep4 receptors
  申请人：——

  公开号：US20040254233A1

  公开（公告）日：2004-12-16

  The invention provides substituted pyrazolidinone compounds, and methods of treatment and pharmaceutical compositions that utilize or comprise one or more such compounds. Compounds of the invention are useful for a variety of therapies, including treating or preventing preterm labor, dysmenorrhea, asthma, hypertension, infertility or fertility disorder, undesired blood clotting, preeclampsia or eclampsia, an eosinophil disorder, sexual dysfunction, osteporosis and other destructive bone disease or disorder, and other diseases and disorders associated with the prostaglandin EP2 and/or EP4 receptors.

  本发明提供了取代吡唑啉酮化合物，以及利用或包含一个或多个这样的化合物的治疗方法和制药组合物。本发明的化合物对于各种疗法都有用，包括治疗或预防早产、痛经、哮喘、高血压、不孕或生育障碍、不良血栓形成、先兆子痫或子痫、嗜酸性粒细胞异常、性功能障碍、骨质疏松症和其他破坏性骨疾病或疾病，以及与前列腺素EP2和/或EP4受体相关的其他疾病和疾病。
• PYRAZALIDINONE COMPOUNDS AS LIGANDS OF THE PROSTAGLANDIN EP2 AND/OR EP4 RECEPTORS
  申请人：ARALDI Gian Luca

  公开号：US20080234346A1

  公开（公告）日：2008-09-25

  The invention provides substituted pyrazolidinone compounds, and methods of treatment and pharmaceutical compositions that utilize or comprise one or more such compounds. Compounds of the invention are useful for a variety of therapies, including treating or preventing preterm labor, dysmenorrhea, asthma, hypertension, infertility or fertility disorder, undesired blood clotting, preeclampsia or eclampsia, an eosinophil disorder, sexual dysfunction, osteporosis and other destructive bone disease or disorder, and other diseases and disorders associated with the prostaglandin EP2 and/or EP4 receptors.

  本发明提供了取代吡唑烷酮化合物，以及利用或包含一种或多种这样的化合物的治疗方法和药物组合物。本发明的化合物可用于多种治疗，包括治疗或预防早产、痛经、哮喘、高血压、不孕或生育障碍、不良血凝、先兆子痫或子痫、嗜酸性粒细胞异常、性功能障碍、骨质疏松症和其他与前列腺素EP2和/或EP4受体相关的疾病和障碍。
• Caldwell, A. Gordon; Harris, C. John; Stepney, Ray, Journal of the Chemical Society. Perkin transactions I, 1980, p. 495 - 505
  作者：Caldwell, A. Gordon、Harris, C. John、Stepney, Ray、Whittaker, Norman

  DOI：——

  日期：——