2-溴-3-乙氧基-2-环戊烯-1-酮 | 226703-16-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-溴-3-乙氧基-2-环戊烯-1-酮
• 英文名称: 2-bromo-3-ethoxycyclopent-2-enone
• 英文别名: 2-Bromo-3-ethoxy-2-cyclopenten-1-one；2-bromo-3-ethoxycyclopent-2-en-1-one
• CAS: 226703-16-8
• 化学式: C₇H₉BrO₂
• 分子量: 205.051
• InChiKey: QEROMHXUKREOCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-溴-3-乙氧基-2-环戊烯-1-酮 在 sodium tungstate 、 正丁基锂 、 硫酸 、 双氧水 、 甲基三辛基氯化铵 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 5.0h， 生成 2-bromo-3-(4-(methylsulfonyl)phenyl)-2-cyclopenten-1-one
  参考文献：
  名称：

  2,3-Diarylcyclopentenones as Orally Active, Highly Selective Cyclooxygenase-2 Inhibitors

  摘要：

  Cyclopentenones containing a 4-(methylsulfonyl)phenyl group in the 3-position and a phenyl ring in the 2-position are selective inhibitors of cyclooxygenase-2 (COX-2). The selectivity for COX-2 over COX-1 is dramatically improved by substituting the 2-phenyl group with halogens in the meta position or by replacing the phenyl ring with a 2- or 3-pyridyl ring. Thus the 3,5-difluorophenyl derivative 7 (L1776,967) and the 3-pyridyl derivative 13 (L-784,506) are particularly interesting as potential antiinflammatory agents with reduced side-effect profiles. Both exhibit good oral bioavailability and are potent in standard models of pain, fever, and inflammation yet have a much reduced effect on the GI integrity of rats compared to standard nonsteroidal antiflammatory drugs.

  DOI：

  10.1021/jm980642l
• 作为产物：
  描述：

  3-乙氧基-2-环戊烯酮 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 1.5h， 生成 2-溴-3-乙氧基-2-环戊烯-1-酮
  参考文献：
  名称：

  [EN] 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS
  [FR] IMIDAZOLE-2-ONES ET IMIDAZOLE-2-THIONES 4 SUBSTITUES COMME AGONISTES DES ADRENO-RECEPTEURS ALPHA-2B ET ALPHA-2C

  摘要：

  式(I)的化合物：其中X为S，变量的含义如规范中定义的那样，对alpha2B和/或alpha2C肾上腺素受体具有特异性或选择性，优先于alpha2A肾上腺素受体，并且因此具有无或仅有极小的心血管和/或镇静活性。这些式(I)的化合物在哺乳动物，包括人类中，作为药物用于治疗对alpha2B肾上腺素受体激动剂治疗有响应的疾病和/或缓解症状是有用的。式(I)的化合物，其中X为O，还具有有利的特性，即它们具有无或仅有极小的心血管和/或镇静活性，并且适用于治疗无或仅有极小的心血管和/或镇静活性的疼痛和其他症状。

  公开号：

  WO2003099795A1

文献信息

• 4-(2-Methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2B agonist and methods of using the same
  申请人：Heidelbaugh M. Todd

  公开号：US20050075366A1

  公开（公告）日：2005-04-07

  The compound of the formula wherein the * indicates an asymmetric carbon, is specific to alpha 2B adrenergic receptors in preference over alpha 2A and alpha 2C adrenergic receptors, and as such has no or only minimal cardivascular and/or sedatory activity. The compound is useful as medicament in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors.

  该化学式的化合物，其中*表示一个不对称碳原子，对α2B肾上腺素受体具有特异性，优先于α2A和α2C肾上腺素受体，因此几乎没有或仅有极小的心血管和/或镇静活性。该化合物可用作哺乳动物，包括人类，治疗对α2B肾上腺素受体激动剂治疗敏感的疾病和/或缓解症状的药物。
• CDK4/6 INHIBITOR AND PHARMACEUTICALLY ACCEPTABLE SALT AND POLYMORPH THEREOF AND USE THEREOF
  申请人：SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD.

  公开号：US20210214358A1

  公开（公告）日：2021-07-15

  Provided are a CDK4/6 inhibitor, a pharmaceutically acceptable salt thereof and a polymorph thereof, and the use thereof. In particular, provided are a polymorph of 2-cyclopropyl-N-(5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-yl)-3-isopropyl-3,8-dihydroimidazo[4′,5′,4,5]cyclopentadieno[1,2-d]pyrimidin-5-amine and a pharmaceutically acceptable salt thereof, and the use thereof. In addition, further disclosed are a pharmaceutical composition of the compound and the use thereof.

  提供了一种CDK4/6抑制剂，其药用盐及其多晶形式，以及其用途。具体提供了2-环丙基-N-(5-((4-乙基哌嗪-1-基)甲基)吡啶-2-基)-3-异丙基-3,8-二氢咪唑[4′,5′,4,5]环戊二烯[1,2-d]嘧啶-5-胺的多晶形式及其药用盐，以及其用途。此外，还披露了该化合物的药物组合物及其用途。
• [EN] HETEROARYL DERIVATIVES AS PARP INHIBITORS<br/>[FR] DÉRIVÉS HÉTÉROARYLE UTILISÉS EN TANT QU'INHIBITEURS DE PARP
  申请人：LUPIN LTD

  公开号：WO2017029601A1

  公开（公告）日：2017-02-23

  Disclosed are compounds of formula (I), their tautomeric forms, stereoisomers, and pharmaceutically acceptable salts thereof, wherein ring Ar, ring B, R1-R5, X, Y, p, q, r, and s are as defined in the specification, pharmaceutical compositions including a compound, tautomer, stereoisomer, or salt thereof, and methods of treating or preventing diseases or disorders, for example, cancer, that are amenable to treatment or prevention by inhibiting the PARP enzyme of a subject.

  公开的是式(I)的化合物，其互变异构体、立体异构体和药学上可接受的盐，其中环Ar、环B、R1-R5、X、Y、p、q、r和s的定义如规范中所述，包括一种化合物、互变异构体、立体异构体或其盐的药物组合物，以及治疗或预防疾病或紊乱的方法，例如癌症，通过抑制受试者的PARP酶可治疗或预防的疾病或紊乱。
• 2-(3,5-difluorophenyl)-3-(4-(methyl-sulfonyl)phenyl)-2-cyclopenten-1-one useful as an inhibitor of cyclooxygenase-2
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0863134A1

  公开（公告）日：1998-09-09

  The invention encompasses the novel compound A, 2-(3,5-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)-2-cyclopenten-1-one, pharmaceutical compositions and use of the compound in the preparation of medicaments for the treatment of cyclooxygenase-2 mediated diseases.

  该发明涵盖了新型化合物A，即2-(3,5-二氟苯基)-3-(4-(甲磺基)苯基)-2-环戊烯-1-酮，以及该化合物在制备用于治疗环氧合酶-2介导的疾病的药物中的应用。
• 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds
  申请人：——

  公开号：US20040220402A1

  公开（公告）日：2004-11-04

  Compounds of Formula 1 1 where X is S and the variables have the meaning defined in the specification are specific or selective to alpha 2B and/or alpha 2C adrenergic receptors in preference over alpha 2A adrenergic receptors, and as such have no or only minimal cardivascular and/or sedatory activity. These compounds of Formula 1 are useful as medicaments in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors. Compounds of Formula 1 where X is O also have the advantageous property that they have no or only minimal cardivascular and/or sedatory activity and are useful for treating pain and other conditions with no or only minimal cardivascular and/or sedatory activity.

  式11的化合物，其中X为S，变量的含义如规范中所定义的，对alpha2B和/或alpha2C肾上腺素受体具有特异性或选择性，而不是对alpha2A肾上腺素受体具有特异性，因此在心血管和/或镇静作用方面几乎没有或仅有最小的活性。这些式1的化合物在哺乳动物，包括人类中，用作治疗对alpha2B肾上腺素受体激动剂治疗有响应的疾病和/或缓解条件的药物。其中X为O的式1的化合物也具有有利的特性，即它们在心血管和/或镇静活性方面几乎没有或仅有最小的活性，并且可用于治疗疼痛和其他在心血管和/或镇静活性方面几乎没有或仅有最小的活性的疾病。