1,3-dihydro-1-[piperidin-4-yl]-1H-3,4-dihydroquinazolin-2-one | 79098-77-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1,3-dihydro-1-[piperidin-4-yl]-1H-3,4-dihydroquinazolin-2-one
• 英文别名: 1-(4-piperidinyl)-3,4-dihydroquinazolin-2(1H)-one；4-[3,4-dihydro-2(1H)-quinazolinon-1-yl]-piperidine；3,4-dihydro-1-(4-piperidinyl)-2(1H)-Quinazolinone；1-piperidin-4-yl-3,4-dihydroquinazolin-2-one
• CAS: 79098-77-4
• 化学式: C₁₃H₁₇N₃O
• 分子量: 231.297
• InChiKey: LNMLKHVUAXMHNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  44.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-dihydro-1-[piperidin-4-yl]-1H-3,4-dihydroquinazolin-2-one 在 palladium on activated charcoal 氢气 、 potassium carbonate 、 potassium iodide 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 40.0~100.0 ℃ 、101.33 kPa 条件下， 反应 18.0h， 生成 1-[1-(6,7-Dimethoxy-phthalazin-1-yl)-piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one
  参考文献：
  名称：

  Studies on cardiotonic agents. II. Synthesis of novel phthalazine and 1,2,3-benzotriazine derivatives.

  摘要：

  合成了一系列具有杂环基哌啶基的二氮杂萘和1,2,3-苯并三嗪衍生物，并测试了麻醉犬的强心活性。几种6, 7-二甲氧基酞嗪衍生物显示出与氨力农相当的相对有效的强心活性。

  DOI：

  10.1248/cpb.38.2179
• 作为产物：
  描述：

  1-苄基-4-(1,2,3,4-四氢-2-氧代-1-喹唑啉基)哌啶 在 palladium(II) hydroxide 氢气 作用下， 以 甲醇 为溶剂， 生成 1,3-dihydro-1-[piperidin-4-yl]-1H-3,4-dihydroquinazolin-2-one
  参考文献：
  名称：

  [EN] DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS
  [FR] INDUCTEURS, À BASE DE DIPHÉNYLBUTYLPIPÉRIDINE, DE L'AUTOPHAGIE

  摘要：

  公开号：

  WO2011143444A3

文献信息

• Modified aminoacids, pharmaceuticals containing these compounds and method for their production
  申请人：Dr. Karl Thomae GmbH

  公开号：US06344449B1

  公开（公告）日：2002-02-05

  The present invention relates to modified amino acids of general formula wherein A, Z, X, n, m, R, R2, R3, R4 and R11 are defined as in claims 1 to 5, their tautomers, their diastereomers, their enantiomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, pharmaceutical compositions containing these compounds, the use thereof and processes for preparing them as well as their use for the production and purification of antibodies and as labelled compounds in RIA- and ELISA assays and as diagnostic or analytical aids in neurotransmitter research.

  本发明涉及一般式的改性氨基酸 其中 A、Z、X、n、m、R、R2、R3、R4和R11的定义如权利要求1至5中所述，它们的互变异构体、对映异构体、立体异构体、它们的混合物及其盐，特别是其与无机或有机酸或碱的生理上可接受的盐，含有这些化合物的药物组合物，其用途以及制备它们的过程，以及它们在抗体的生产和纯化中的用途以及在RIA和ELISA测定中作为标记化合物以及在神经递质研究中作为诊断或分析辅助工具的用途。
• Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin
  申请人：Merck & Co., Inc.

  公开号：US05665719A1

  公开（公告）日：1997-09-09

  Compounds of the formula ##STR1## X is --O--, --NH-- and --NR.sup.8 --; Y is --CH.sub.2 --, --CHR.sup.8 -- and --C(R.sup.8).sub.2 --; R.sup.1 is camphor-10-yl, C.sub.1-5 alkoxyl, styryl, hydroxystyryl, furyl, unsubstituted or substituted thienyl, naphthyl, indolyl, tetrahydronaphthyl, unsubstituted, mono- or di-substituted pyridyl, pyrazinyl, unsubstituted or substituted cyclohexyl where the substituent is R.sup.4, and unsubstituted or substituted phenyl where the substituents on phenyl are R.sup.5, R.sup.6 and R.sup.7 ; R.sup.2 is hydrogen, C.sub.1-5 alkoxy, C.sub.1-5 alkyl, amino, C.sub.1-5 alkylcarbonylamino, nitro or halogen; R.sup.3 is hydrogen, C.sub.1-5 alkoxycarbonyl, cyano or carbamoyl; R.sup.4 is one to two of hydrogen, oxo, hydroxy, C.sub.1-5 alkoxy, C.sub.1-5 alkoxycarbonylamino-C.sub.1-5 alkyl and amino-C.sub.1-5 alkyl; R.sup.5, R.sup.6 are each independently selected from hydrogen, halogen, C.sub.1-5 alkyl, hydroxyl and C.sub.1-5 alkoxy; R.sup.7 is ##STR2## W is CO or SO.sub.2 ; and m is an integer from 0 to 1. Such compounds as useful as oxytocin and vasopressin receptor antagonists.

  该公式化合物的翻译如下： X为--O--，--NH--和--NR.sup.8--；Y为--CH.sub.2--，--CHR.sup.8--和--C(R.sup.8).sub.2--；R.sup.1为樟脑-10-基，C.sub.1-5烷氧基，苯乙烯基，羟基苯乙烯基，呋喃基，未取代或取代噻吩基，萘基，吲哚基，四氢萘基，未取代，单取代或双取代吡啶基，吡嗪基，未取代或取代的环己基，其中取代基为R.sup.4，以及未取代或取代的苯基，苯基上的取代基为R.sup.5，R.sup.6和R.sup.7；R.sup.2为氢，C.sub.1-5烷氧基，C.sub.1-5烷基，氨基，C.sub.1-5烷基羰基氨基，硝基或卤素；R.sup.3为氢，C.sub.1-5烷氧羰基，氰基或氨基甲酰基；R.sup.4为氢，氧代，羟基，C.sub.1-5烷氧基，C.sub.1-5烷氧羰基氨基-C.sub.1-5烷基和氨基-C.sub.1-5烷基中的一种或两种；R.sup.5，R.sup.6分别独立选择自氢，卤素，C.sub.1-5烷基，羟基和C.sub.1-5烷氧基；R.sup.7为##STR2## W为CO或SO.sub.2；m为0到1的整数。这些化合物可用作催产素和抗利尿激素受体拮抗剂。
• 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。
• Piperidine derivatives and pharmaceutical compositions containing same
  申请人：Kyowa Hakko Kogyo Co., Ltd.

  公开号：US04344948A1

  公开（公告）日：1982-08-17

  A new piperidine derivative represented by the formula: ##STR1## wherein X is oxygen, sulfur, carbonyl, hydroxymethylene or methylene; R is straight-chain alkylene having 1-4 carbon atoms with or without lower alkyl substituent(s); m and n are 0 or 1, and are different from each other (i.e., both m and n are not 0 or 1); and (D).sub.m', R.sup.1 and (R.sup.2)n' are usually used as substituents, has a hypotensive activity.

  一种新的哌啶衍生物，其化学式为：##STR1## 其中X为氧、硫、酰基、羟甲基或亚甲基；R为直链烷基，含有1-4个碳原子，可以带有或不带有较低的烷基取代基；m和n为0或1，并且彼此不同（即，m和n均不为0或1）；(D)。m'、R1和(R2)n'通常用作取代基，具有降压活性。
• Muscarine antagonists
  申请人：Merck & Co., Inc.

  公开号：US05574044A1

  公开（公告）日：1996-11-12

  Compounds, 1,3-dihydro-1-1-[piperidin-4-yl]piperidin-4-yl}-2H-benzimidazol-2-ones and 1,3-dihydro-1-4-amino-1-cyclohexyl}-2H-benzimidazol-2-ones and derivatives thereof, their preparation, method of use and pharmaceutical compositions are described. These compounds are endowed with antimuscarinic activity and are useful in the treatment and/or prevention of myopia (commonly known as nearsightedness).

  描述了化合物，1,3-二氢-1-1-[哌啶-4-基]哌啶-4-基}-2H-苯并咪唑-2-酮和1,3-二氢-1-4-氨基-1-环己基}-2H-苯并咪唑-2-酮及其衍生物，它们的制备、使用方法和药物组合物。这些化合物具有抗胆碱能活性，可用于治疗和/或预防近视（通常称为近视）。