5,6,7,8-tetrahydro-1,2,4-triazolo(4,3-a)pyridin-3(2H)-one | 118801-67-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并吡啶类
• 英文名称: 5,6,7,8-tetrahydro-1,2,4-triazolo(4,3-a)pyridin-3(2H)-one
• 英文别名: 3-Hydroxy-4,5-tetramethylen-1,2,4-triazol；5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
• CAS: 118801-67-5
• 化学式: C₆H₉N₃O
• mdl: MFCD13178772
• 分子量: 139.16
• InChiKey: VNJXPEWQUVGHKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Heterocyclic compound having serotonine 2-receptor antagonistic activity
  申请人：Daiichi Pharmaceutical Co., Ltd.

  公开号：US05232924A1

  公开（公告）日：1993-08-03

  A heterocyclic compound represented by formula (I): ##STR1## wherein R.sup.1 represents a hydrogen atom, an alkyl group, an aryl group which may be substituted with one or more substituents selected from the group consisting of a halogen atom, an alkoxy group, an alkyl group and a trihalogenomethyl group; .lambda. represents 0 or 1; ring A represents a 6 membered heterocyclic ring containing the nitrogen atom shared with the triazine ring and which may contain one or more double bonds; Y represents a substituted or unsubstituted alkylene group having 1 to 15 carbon atoms; and Q represents a group represented by formula (II): ##STR2## wherein R.sup.2, R.sup.3, R.sup.4 and R.sup.5 are represented by substituents disclosed herein; or salt thereof, and intermediates therefor are described. The compound of formula (I) or salt thereof exhibit selective serotonin 2-receptor antagonistic activity and are useful for the prevention or treatment of circulatory diseases, e.g., ischemic heart diseases, cerebral vessel disturbances, and peripheral circulation disturbances.

  一种由式(I)表示的杂环化合物：##STR1##其中R1表示氢原子、烷基组、可能被一个或多个选自卤素原子、烷氧基组、烷基组和三卤甲基组的取代基取代的芳基组；λ表示0或1；环A表示含有与三嗪环共用氮原子的6元杂环环，该环可能含有一个或多个双键；Y表示具有1至15个碳原子的取代或未取代的亚烷基组；Q表示由式(II)表示的组：##STR2##其中R2、R3、R4和R5由本文披露的取代基表示；或其盐，以及其中间体。式(I)的化合物或其盐表现出对血清素2受体的选择性拮抗活性，并可用于预防或治疗循环系统疾病，例如缺血性心脏病、脑血管障碍和外周循环障碍。
• [EN] HERBICIDAL PYRIDYLETHERS<br/>[FR] PYRIDYLÉTHERS EN TANT QU'HERBICIDES
  申请人：BASF SE

  公开号：WO2019101513A1

  公开（公告）日：2019-05-31

  The present invention relates to pyridylethers of formula (I) or their agriculturally acceptable salts or derivatives,wherein the variables are defined accord- ing to the description, processes and intermediates for preparing the pyridylethers of formula (I), compositions comprising them and their use as herbicides, i.e. for controlling harmful plants, and also a method for controlling unwanted vegetation which comprises allowing a herbicidal effective amount of at least one pyridylether of formula (I)to act on plants, their seed and/or their habitat.

  本发明涉及式(I)的吡啶基醚化合物或其农业上可接受的盐或衍生物，其中变量根据说明进行定义，用于制备式(I)的吡啶基醚化合物的过程和中间体，包含它们的组合物以及它们作为除草剂的用途，即用于控制有害植物，并且还包括一种控制不受欢迎植被的方法，该方法包括使至少一种式(I)的吡啶基醚对植物、它们的种子和/或它们的栖息地发挥除草作用的有效量。
• SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF
  申请人：BAYER AKTIENGESELLSCHAFT

  公开号：US20190160048A1

  公开（公告）日：2019-05-30

  The present application relates to novel substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-c][1,2,4]triazol-3-ones, to processes for preparation thereof, to the use thereof, alone or in combinations, for treatment and/or prophylaxis of diseases, and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially for treatment and/or prophylaxis of lung inflammation disorders.

  该申请涉及新颖的取代5,6,7,8-四氢[1,2,4]三唑并[4,3-a]吡啶-3(2H)-酮和2,5,6,7-四氢-3H-吡咯[2,1-c][1,2,4]三唑-3-酮，其制备方法，以及其单独或组合使用用于治疗和/或预防疾病，以及其用于生产用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防肺部炎症性疾病。
• Syntheses of 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives
  作者：Yoshifumi Watanabe、Hiroyuki Usui、Shozo Kobayashi、Hirotaka Yoshiwara、Toshiro Shibano、Tsuyoshi Tanaka、Yoshiyuki Morishima、Megumi Yasuoka、Munefumi Kanao

  DOI：10.1021/jm00079a026

  日期：1992.1

  2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one (7b) had the most

  一系列带有4- [双（4-氟-苯基）亚甲基的双环1,2,4-三唑-3（2H）-one和1,3,5-三嗪-2,4（3H）-二酮衍生物已制备]哌啶或4-（4-氟苯甲酰基）哌啶基团并测试了5-HT 2和α1受体拮抗剂的活性。在制备的化合物中，2- [2- [2- [4- [双（4-氟苯基）亚甲基]-哌啶-1-基]乙基] -5,6,7,8-四氢-1,2,4-三唑[ 4,3-a] pyridin-3（2H）-one（7b）具有最有效的5-HT2拮抗剂活性，高于利坦色林（2），而7b在体内未显示出α1拮抗剂活性。当测试阻断5-羟色氨酸诱导的头部抽搐的能力时，中央5-HT 2受体拮抗作用约为2的1/30。化合物21b，3- [2- [4-（4-氟苯甲酰基）哌啶-1-基]乙基] -6,7,8,9-四氢-2H-吡啶基[1,2-a] -1,3， 5-三嗪-2，4（3H）-二酮也显示出有效的5-HT2拮抗剂活性
• BICYCLOAMINE DERIVATIVES
  申请人：Ozaki Fumihiro

  公开号：US20090270369A1

  公开（公告）日：2009-10-29

  Compounds represented by formula (I) and pharmaceutically acceptable salts thereof have excellent sodium channel inhibitory action and are useful as therapeutic agents and analgesics for various kinds of neuralgia, neuropathy, epilepsy, insomnia, premature ejaculation and the like. wherein Q represents ethylene, etc., R 1 , R 2 and R 3 represent hydrogen, etc., X 1 represents C 1-6 alkylene, etc., X 2 represents C 1-6 alkylene, etc., A 1 represents a 5- to 6-membered heterocyclic group, etc., and A 2 represents C 6-14 aryl, etc.

  由式(I)表示的化合物及其药学上可接受的盐具有出色的钠通道抑制作用，并可用作治疗剂和各种神经痛、神经病、癫痫、失眠、早泄等的镇痛剂。其中Q代表乙烯等，R1、R2和R3代表氢等，X1代表C1-6烷基等，X2代表C1-6烷基等，A1代表5-至6-成员杂环基团等，A2代表C6-14芳基等。