[1,2]oxazepane hydrochloride | 22185-38-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧氮杂卓类
• 英文名称: [1,2]oxazepane hydrochloride
• 英文别名: oxazepan-2-ium;chloride
• CAS: 22185-38-2
• 化学式: C₅H₁₁NO*ClH
• mdl: MFCD26404410
• 分子量: 137.609
• InChiKey: NQETVWLYLOBZLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.71
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [1,2]oxazepane hydrochloride 在 palladium on activated charcoal 氢气 作用下， 生成 5-氨基-1-戊醇
  参考文献：
  名称：

  Pifferi,G.; Consonni,P., Journal of Heterocyclic Chemistry, 1969, vol. 6, p. 111 - 112

  摘要：

  DOI：

文献信息

• [EN] 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE 5-AZAINDAZOLE UTILISÉS EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE L'ADÉNOSINE
  申请人：MERCK PATENT GMBH

  公开号：WO2020083878A1

  公开（公告）日：2020-04-30

  The present invention relates to novel 5-azaindazole derivatives of formula (I), as described and defined herein, and pharmaceutically acceptable salts, solvates and prodrug thereof, as well as pharmaceutical compositions comprising such compounds. The 5-azaindazole derivatives according to the invention have been found to be highly effective dual A2A/A2B adenosine receptor antagonists, and can thus be used as therapeutic agents, particularly in the treatment or prevention of hyperproliferative or infectious diseases or disorders.

  本发明涉及公式（I）所述的新型5-氮杂吲唑衍生物，以及其药学上可接受的盐、溶剂化合物和前药，以及包含这些化合物的药物组合物。根据本发明的5-氮杂吲唑衍生物已被发现为高效的双重A2A/A2B腺苷受体拮抗剂，因此可以用作治疗剂，特别是用于治疗或预防过度增殖性或传染性疾病或紊乱。
• Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics
  申请人：——

  公开号：US20040059109A1

  公开（公告）日：2004-03-25

  The present invention relates to alanine 2,6-dialkoxyphenyl ester derivatives having the general formula I, Formula (I) wherein R 1 is (C 1-3 )alkyloxy, (C 1-3 )alkyloxy(C 1-3 )alkyl, (C 1-3 )alkylthio, (C 1-3 )alkylthio(C 1-3 )alkyl, (C 1-3 )alkylsulfinyl, (C 1-3 )alkylsulfinyl(C 1-3 )alkyl, (C 1-3 )alkylsulfonyl, (C 1-3 )alkylsulfonyl(C 1-3 )alkyl, (C 1-3 )alkyloxycarbonyl, (CH 2 ) n —CO—NR 8 R 9? or (CH2) n —NR 8 R 9?; n is 0, 1 or 2; R 2 is hydrogen or (C 1-3?)alkyl; R 3 is (C 1-3 )alkyl or (C 1-3 )alkyloxy(C 1-3?)alkyl; R 4 is (C 1-3 )alkyloxy(C 1-3 )alkyl; or R 3 and R 4 form together with the nitrogen atom to which they are bound a 5-, 6-, or 7-membered ring, optionally containing a further heteroatom selected from O and S, and which ring may optionally contain a double bond and be optionally substituted with (C 1-3 )alkyl or (C 1-3 )alkyloxy; R 5 and R 6 are independently (C 1-3 )alkyl; R 7 is hydrogen, (C 1-3 )alkyl, (C 1-3 )alkyloxy or (C 2-3 )alkenyl; R 8 and R 9 are independently (C 1-3 )alkyl; or R 8 and R 9 form together with the nitrogen atom to which they are bound a 5-, 6-, or 7-membered, optionally containing a further heteroatom selected from O and S, and which ring may optionally contain a double bond; or a pharmaceutically acceptable salt thereof. The invention also relates to pharmaceutical compositions comprising said derivatives, and to the use of these alanine 2,6-dialkoxyphenyl ester derivatives as hypnotics for the induction and maintenance of general anaesthesia. 1

  本发明涉及具有一般式I的丙氨酸2,6-二烷氧基苯酯衍生物，式(I)其中，R1是(C1-3)烷氧基、(C1-3)烷氧基(C1-3)烷基、(C1-3)烷基硫醚、(C1-3)烷基硫醚(C1-3)烷基、(C1-3)烷基亚磺酰、(C1-3)烷基亚磺酰(C1-3)烷基、(C1-3)烷基磺酰、(C1-3)烷基磺酰(C1-3)烷基、(C1-3)烷氧羰基、(CH2)n—CO—NR8R9或(CH2)n—NR8R9；n为0、1或2；R2是氢或(C1-3)烷基；R3是(C1-3)烷基或(C1-3)烷氧基(C1-3)烷基；R4是(C1-3)烷氧基(C1-3)烷基；或R3和R4与它们所结合的氮原子一起形成一个5、6或7元环，可选地含有进一步从O和S中选择的杂原子，并且该环可以可选地含有双键并被(C1-3)烷基或(C1-3)烷氧基取代；R5和R6独立地是(C1-3)烷基；R7是氢、(C1-3)烷基、(C1-3)烷氧基或(C2-3)烯基；R8和R9独立地是(C1-3)烷基；或者R8和R9与它们所结合的氮原子一起形成一个5、6或7元环，可选地含有进一步从O和S中选择的杂原子，并且该环可以可选地含有双键；或其药学上可接受的盐。本发明还涉及包含上述衍生物的制药组合物，以及将这些丙氨酸2,6-二烷氧基苯酯衍生物用作诱导和维持全身麻醉的催眠药的用途。
• 4-hydroxy-2-phenyl-1,3-thiazol-5-yl methanone derivatives as TRPM8 antagonists
  申请人：DOMPÉ FARMACEUTICI S.P.A.

  公开号：US10246448B2

  公开（公告）日：2019-04-02

  The invention relates to compounds acting as antagonists of Transient Receptor Potential cation channel subfamily M member 8 (TRPM8), and having formula (I): Said compounds are useful in the treatment of diseases associated with activity of TRPM8 such as pain, ischaemia, neurodegeneration, stroke, psychiatric disorders, itch, irritable bowel diseases, cold-induced and/or exacerbated-respiratory disorders, urological disorders, corneal disorders associated to disturbances in the production of the tears and/or altered blinking such as epiphora and dry eye disease.

  本发明涉及可作为瞬态受体电位阳离子通道 M 亚家族成员 8（TRPM8）拮抗剂并具有式（I）的化合物： 所述化合物可用于治疗与 TRPM8 活性相关的疾病，如疼痛、缺血、神经变性、中风、精神疾病、瘙痒、肠易激性疾病、寒冷诱发和/或加重的呼吸系统疾病、泌尿系统疾病、与泪液分泌紊乱和/或眨眼改变相关的角膜疾病，如口 Epiphora 和干眼病。
• Discovery of Novel TRPM8 Blockers Suitable for the Treatment of Somatic and Ocular Painful Conditions: A Journey through p<i>K</i>_a and LogD Modulation
  作者：Gianluca Bianchini、Mara Tomassetti、Samuele Lillini、Anna Sirico、Silvia Bovolenta、Lorena Za、Chiara Liberati、Rubina Novelli、Andrea Aramini

  DOI：10.1021/acs.jmedchem.1c01647

  日期：2021.11.25
• ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS
  申请人：Akzo Nobel N.V.

  公开号：EP1373188B1

  公开（公告）日：2006-06-07