4-(氮杂环丁-3-基)吗啉盐酸盐 | 223381-71-3

• 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 - 恶嗪烷类
• 中文名称: 4-(氮杂环丁-3-基)吗啉盐酸盐
• 中文别名: 4-(氮杂环丁烷-3-基)吗啉盐酸盐
• 英文名称: 4-(azetidin-3-yl)morpholine hydrochloride
• 英文别名: 4-(azetidin-3-yl)morpholine;hydrochloride
• CAS: 223381-71-3
• 化学式: C₇H₁₄N₂O*ClH
• 分子量: 178.662
• InChiKey: AEGZLYNAJWQQTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.29
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-(氮杂环丁-3-基)吗啉盐酸盐 在 镍 ammonium hydroxide 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 24.5h， 生成 (5S)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
  参考文献：
  名称：

  Chemoenzymatic synthesis of a tachykinin NK-2 antagonist

  摘要：

  A non-peptide tachykinin antagonist has been synthesized in a short and efficient four step sequence starting from a chiral enol acetate, which was obtained in enantiomerically pure form by resolution using a lipase catalysed transesterification reaction. The biotransformation was optimized in terms of solvent, temperature and immobilization method used. Oxidative cleavage of the (+)-enol acetate to give the key aldehyde ester intermediate could be achieved indirectly by oxidative rearrangement to an enone followed by Baeyer-Villiger oxidation and ring opening, or by epoxidation, rearrangement and oxidative cleavage or most directly by ozonolysis. X-Ray crystallographic analysis of a camphanic ester derivative of an ester alcohol confirmed that the absolute configuration of the enol acetate was (S). (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(01)00796-7
• 作为产物：
  描述：

  tert-butyl 3-morpholinoazetidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 4-(氮杂环丁-3-基)吗啉盐酸盐
  参考文献：
  名称：

  氟维司群衍生物及其制备方法和医药用途

  摘要：

  本发明涉及氟维司群衍生物及其制备方法和医药用途。具体而言，本发明涉及通式(I)所示的氟维司群衍生物，其制备方法，包含其的药物组合物，以及其用于治疗乳腺癌的用途。通式(I)中各基团的定义与说明书中相同。#imgabs0#

  公开号：

  CN116836216A

文献信息

• SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS
  申请人：Bayer AG

  公开号：EP3800188A1

  公开（公告）日：2021-04-07

  The present application relates to novel pyrazolopyrimidine derivatives for treatment and/or prophylaxis of diseases and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases in humans and in animals, especially of proliferative disorders, autoimmune disorders, metabolic and inflammatory disorders characterized by an overreacting immune system, in particular rheumatological disorders, inflammatory skin disorders, cardiovascular disorders, lung disorders, eye disorders, neurological disorders, pain disorders and cancer, in human as well as of allergic and/or inflammatory diseases in animals, especially of atopic dermatitis and/or Flea Allergy Dermatitis, and especially in domestic animals, particularly in dogs.

  本申请涉及用于治疗和/或预防疾病的新的吡唑并嘧啶衍生物，以及将它们用于生产用于治疗和/或预防人类和动物疾病的药物，尤其是增殖性疾病、自身免疫性疾病、代谢和炎症性疾病，这些疾病的特点是免疫系统过度反应，特别是风湿性疾病、炎症性皮肤病、心血管疾病、肺部疾病、眼病、神经系统疾病、疼痛疾病和癌症，在人类中，以及动物的过敏性/或炎症性疾病，特别是异位性皮炎和/或跳蚤过敏性皮炎，尤其是在家养动物中，特别是在狗中。
• THERAPEUTIC COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20180118734A1

  公开（公告）日：2018-05-03

  Compounds disclosed herein including compounds of Formula I: and salts thereof are provided. Pharmaceutical compositions comprising compounds disclosed herein, processes for preparing compounds disclosed herein, intermediates useful for preparing compounds disclosed herein and therapeutic methods for treating an HIV infection using compounds disclosed herein are also provided.

  本文披露的化合物包括式I的化合物及其盐。还提供了包括本文披露的化合物的药物组合物，用于制备本文披露的化合物的方法，用于制备本文披露的化合物的有用中间体，以及使用本文披露的化合物治疗HIV感染的治疗方法。
• [EN] INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME<br/>[FR] COMPOSÉS INDAZOLE UTILISÉS COMME INHIBITEURS DE KINASE ET MÉTHODE DE TRAITEMENT DU CANCER AVEC LESDITS COMPOSÉS
  申请人：UNIV HEALTH NETWORK

  公开号：WO2013053051A1

  公开（公告）日：2013-04-18

  The present teaching provide indazole compounds represented by Structural Formulae (I) or (I') or a pharmaceutically acceptable salt thereof. Also described are pharmaceutical compositions and methods of use thereof as protein kinase inhibitors, such as TTK protein kinase, polo-like kinase 4 (PLK4) and Aurora kinases having anticancer activity against breast cancer cells, colon cancer cells, and ovarian cancer cells.

  本教学提供了由结构式（I）或（I'）表示的吲唑化合物或其药用可接受的盐。还描述了这些药物组合物及其用作蛋白激酶抑制剂的方法，如对乳腺癌细胞、结肠癌细胞和卵巢癌细胞具有抗癌活性的TTK蛋白激酶、极化样激酶4（PLK4）和极化激酶。
• NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF
  申请人：WAKUNAGA PHARMACEUTICAL CO., LTD.

  公开号：US20200062752A1

  公开（公告）日：2020-02-27

  It is intended to provide a novel compound having high antitumor activity and low toxicity to normal cells. The present invention provides a pyridone carboxylic acid derivative represented by the following formula (1) or a salt thereof wherein R 1 represents a hydrogen atom, a halogen atom or the like; R 2 represents a hydrogen atom, a halogen atom or the like; R 3 to R 6 each represent a hydrogen atom or the like; R 7 represents a hydrogen atom or the like; R 8 represents a hydrogen atom, a halogen atom, the following formula (a) (wherein R a1 and R a2 each represent a hydrogen atom, a hydroxy group, an optionally substituted lower alkyl group or the like) or the like, or R 7 and R 8 together represent —N—OR 10 (wherein R 10 represents a hydrogen atom, an optionally substituted lower alkyl group, or an aralkyl group), or R 7 and R 8 form an optionally substituted 4- to 6-membered saturated hetero ring together with the adjacent carbon atom, or the like; R 9 represents a hydrogen atom or the like; X represents a nitrogen atom or the like; and Y represents a nitrogen atom or the like.

  本发明旨在提供一种具有高抗肿瘤活性和低毒性对正常细胞的新型化合物。本发明提供一种由以下式(1)表示的吡啶酮羧酸衍生物或其盐，其中R1代表氢原子、卤素原子或类似物；R2代表氢原子、卤素原子或类似物；R3至R6各自代表氢原子或类似物；R7代表氢原子或类似物；R8代表氢原子、卤素原子、以下式(a)（其中Ra1和Ra2各自代表氢原子、羟基、可选择取代的低烷基基团或类似物）或类似物，或者R7和R8一起代表—N—OR10（其中R10代表氢原子、可选择取代的低烷基基团或芳基烷基基团），或者R7和R8与相邻碳原子一起形成可选择取代的4-至6元饱和杂环，或类似物；R9代表氢原子或类似物；X代表氮原子或类似物；Y代表氮原子或类似物。
• 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME
  申请人：Hopper Allen

  公开号：US20110092475A1

  公开（公告）日：2011-04-21

  The present invention provides 2-substituted-ethynylthiazole derivatives of formula (I): wherein R 1 , R 2 and X are as defined herein, or a pharmaceutically acceptable salt thereof; and pharmaceutical compositions and methods of using same.

  本发明提供了公式（I）的2-取代-乙炔基噻唑衍生物：其中R1、R2和X如此处定义，或其药学上可接受的盐；以及使用相同的药物组合物和方法。