3-(4-哌啶)1,3-苯并恶唑-2-(3H)酮 | 215878-20-9

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 中文名称: 3-(4-哌啶)1,3-苯并恶唑-2-(3H)酮
• 英文名称: 3-(piperidin-4-yl)benzo[d]oxazole-2(3H)-one
• 英文别名: 4-[2(3H)-oxobenzoxazol-3-yl]piperidine；3-piperidin-4-yl-3H-benzooxazol-2-one；4-(2-oxo-3-benzoxazolinyl)-piperidine；3-(4-Piperidinyl)-1,3-benzoxazol-2(3H)-one；3-piperidin-4-yl-1,3-benzoxazol-2-one
• CAS: 215878-20-9
• 化学式: C₁₂H₁₄N₂O₂
• 分子量: 218.255
• InChiKey: SDARRYSVKYQEIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-(4-哌啶)1,3-苯并恶唑-2-(3H)酮 在 lithium hydroxide monohydrate 、 水 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 4-(2-oxo-2-(4-(2-oxobenzo[d]oxazole-3(2H)-yl)piperidin-1-yl)ethyl)benzoic acid
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME

  摘要：

  由式XI表示的杂环化合物，其药用盐、溶剂合物，或其药用盐的溶剂合物，以及其用途和含有该化合物的组合物。该化合物在结构上是新颖的，并具有良好的STAT5抑制活性。

  公开号：

  EP3960736A1
• 作为产物：
  描述：

  1-Boc-4-(2-羟苯胺基)哌啶 在 盐酸 作用下， 生成 3-(4-哌啶)1,3-苯并恶唑-2-(3H)酮
  参考文献：
  名称：

  Design and synthesis of N-alkylated saccharins as selective α-1a adrenergic receptor antagonists

  摘要：

  Benign prostatic hyperplasia can be managed pharmacologically with alpha-1 adrenergic receptor antagonists. Agents that demonstrate selectivity for the alpha-1a receptor subtype may offer advantages in clinical applications with respect to hypotensive side effects. The N-alkylated saccharins reported here represent a new class of subtype selective alpha-1a adrenergic receptor antagonists which demonstrate potent effects on prostate function in vivo and are devoid of blood pressure side effects. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00446-6

文献信息

• [EN] QUINAZOLINONE COMPOUNDS AND DERIVATIVES THEREOF<br/>[FR] COMPOSÉS QUINAZOLINONES ET LEURS DÉRIVÉS
  申请人：AMGEN INC

  公开号：WO2014036022A1

  公开（公告）日：2014-03-06

  Compounds of Formula I are useful inhibitors of tankyrase. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  公式I的化合物是坦克酶的有用抑制剂。公式I的化合物具有以下结构：其中变量的定义在此提供。
• Method for treating allergies using substituted pyrazoles
  申请人：Butler R. Christopher

  公开号：US20050101587A9

  公开（公告）日：2005-05-12

  A method for treating an allergic condition, including an atopic allergic condition, using substituted pyrazoles.

  使用取代吡唑烷治疗过敏症状的方法，包括特应性过敏症状。
• Alpha IC adrenergic receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US05760054A1

  公开（公告）日：1998-06-02

  This invention relates to certain novel compounds and derivatives thereof, their synthesis, and their use as selective alpha-1C adrenergic receptor antagonists. One application of these compounds is in the treatment of benign prostatic hypertrophy. These compounds are selective in their ability to relax smooth muscle tissue enriched in the alpha1C receptor subtype without at the same time inducing orthostatic hypotension. One such tissue is found surrounding the urethral lining. Therefore, one utility of the instant compounds is to provide acute relief to males suffering from benign prostatic hyperplasia, by permitting less hindered urine flow. Another utility of the instant compounds is provided by combination with a human 5-alpha reductase inhibitory compound, such that both acute and chronic relief from the effects of benign prostatic hyperplasia are achieved.

  这项发明涉及某些新型化合物及其衍生物，它们的合成以及它们作为选择性α-1C肾上腺素受体拮抗剂的用途。这些化合物的一个应用是治疗良性前列腺肥大。这些化合物在其能够放松富含α1C受体亚型的平滑肌组织方面具有选择性，同时不会引起直立性低血压。这样的组织之一是围绕尿道内衬的组织。因此，这些化合物的一个用途是通过减少阻碍尿液流动来为患有良性前列腺增生的男性提供急性缓解。这些化合物的另一个用途是与人类5α-还原酶抑制剂化合物结合，从而实现对良性前列腺增生影响的急性和慢性缓解。
• INDOLES
  申请人：Bissantz Caterina

  公开号：US20080161315A1

  公开（公告）日：2008-07-03

  The present invention is concerned with novel indol-3-yl-carbonyl-piperidine-benzopyrrolone, -benzoxazolone and -benzotriazole derivatives as V1a receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use for the treatment of anxiety and depressive disorders and other diseases. In particular, the present invention is concerned with compounds of formula (I) wherein X, Y and R 1 to R 10 are as described in the specification.

  本发明涉及新型吲哚-3-基-羰基-哌啶-苯并吡咯酮、苯并噁唑酮和苯并三唑衍生物作为V1a受体拮抗剂，它们的制备、含有它们的药物组合物以及它们用于治疗焦虑和抑郁症等疾病的用途。具体而言，本发明涉及具有式(I)的化合物，其中X、Y和R1至R10如规范中所述。
• Identification of a novel series of selective 5-HT7 receptor antagonists
  作者：Ian T. Forbes、David G. Cooper、Emma K. Dodds、Sara E. Douglas、Andrew D. Gribble、Robert J. Ife、Andrew P. Lightfoot、Malcolm Meeson、Lorraine P. Campbell、Tanya Coleman、Graham J. Riley、David R. Thomas

  DOI：10.1016/s0960-894x(03)00077-5

  日期：2003.3

  Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673.

  从高通量筛选中鉴定出含有苯并环庚酮核心的新型5-HT（7）受体拮抗剂。分子建模和SAR研究已将这些难处理的命中转化为更有效，更具选择性和更易处理的序列，例如化合物（25）SB-691673。