5-氯-6-甲基烟腈 | 1256835-28-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-氯-6-甲基烟腈
• 英文名称: 5-chloro-6-methylpyridine-3-carbonitrile
• 英文别名: 5-chloro-6-methylnicotinonitrile
• CAS: 1256835-28-5
• 化学式: C₇H₅ClN₂
• 分子量: 152.583
• InChiKey: ZTBGMWQLXAALOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-氯-6-甲基烟腈 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 14.0h， 以120 mg的产率得到6-(bromomethyl)-5-chloropyridine-3-carbonitrile
  参考文献：
  名称：

  [EN] ΡΡΑRγ MODULATORS AND METHODS OF USE
  [FR] MODULATEURS DE ΡΡΑRγ ET MÉTHODES D'UTILISATION

  摘要：

  本文公开了一种新型的PPARy调节剂，其化学式为（I），以及其药学上可接受的盐，包含它们的制药组合物，以及使用它们的方法，特别是用于治疗癌症的方法。

  公开号：

  WO2022099144A1
• 作为产物：
  描述：

  iodopyridine 、 N-叔丁氧羰基-4-哌啶酮 在 lithium chloro-isopropyl-magnesium chloride 、 甲醇 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 以57%的产率得到tert-butyl 3-chloro-2-methyl-5-oxo-5H-spiro[furo[3,4-b]pyridine-7,4'-piperidine]-1'-carboxylate
  参考文献：
  名称：

  A concise synthesis of 3,4-fused spiro[isobenzofuran-3-ones], spiro[furo[3,4- b ]pyridin-5(7 H )-ones], 3-aryl-, and alkylphthalides

  摘要：

  A synthetically useful protocol has been developed for the preparation of highly functionalized 3,4-fused spiro[isobenzofuran-3-ones], spiro[furo[3,4-b]pyridin-5(7H)-ones], 3-aryl-, and alkylphthalides. Reaction of 2-iodobenzoate esters and 2-iodopyridine carboxylate esters with i-PrMgCl center dot LiCl in the presence of cyclic ketones under standard Barbier reaction conditions affords 3,4-fused spiro[isobenzofuran-3-ones] and spiro[furo[3,4-b]pyridin-5(7H)-ones] in good to excellent yields. Step-wise addition of i-PrMgCl center dot LiCl to 2-iodobenzoate esters followed by trapping with various aldehydes yields 3-aryl and 3-alkylphthalides; whereas, under similar conditions access to 3-aryl and 3-alylazaphthalides is also possible. Extension of this methodology toward the preparation of 3-n-butylphthalide and chrycolide, a natural product isolated from the leaves and stems of Chrysanthemum coronarium, is also described. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.02.051

文献信息

• [EN] BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE<br/>[FR] DÉRIVÉS DE THIAZINE ET D'OXAZINE BICYCLIQUES EN TANT QU'INHIBITEURS DE BÊTA-SÉCRÉTASE ET PROCÉDÉS D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2018112084A1

  公开（公告）日：2018-06-21

  The present disclosure provides a new class of compounds useful for the modulation of beta-secretase enzyme (BACE) activity. The compounds have a general Formula (I): (Formula (I)) wherein variables X, Y, R2, R3, R4, R5, R6, and n of Formula (I) are defined herein. This disclosure also provides pharmaceutical compositions comprising the compounds, and uses of the compounds and compositions for treatment of disorders and/or conditions related to Aβ plaque formation and deposition, resulting from the biological activity of BACE. Such BACE mediated disorders include, for example, Alzheimer 's disease, cognitive deficits, cognitive impairments, and other central nervous system conditions.

  本公开提供了一类新的化合物，用于调节β-分泌酶（BACE）活性。这些化合物具有一般式（I）：（式（I）），其中式（I）中的变量X、Y、R2、R3、R4、R5、R6和n在此处定义。本公开还提供了包括这些化合物的药物组合物，以及这些化合物和组合物用于治疗与Aβ斑块形成和沉积相关的疾病和/或症状的用途，这些疾病和症状是由BACE的生物活性引起的。这种由BACE介导的疾病包括阿尔茨海默病、认知缺陷、认知障碍和其他中枢神经系统疾病。
• PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：US20200172517A1

  公开（公告）日：2020-06-04

  A novel herbicide having remarkable herbicidal activities against undesired plants is provided. A pyridazinone compound represented by the formula (I) or its salt: wherein X is —O—, —S—, —SO—, —SO 2 — or —N(Y)—; Q is monocyclic aryl which may be substituted by Z, monocyclic heteroaryl which may be substituted by Z or the like; Y is a hydrogen atom or alkyl; Z is halogen, alkyl or the like; R 1 is alkyl, alkenyl or the like; R 2 is a hydrogen atom, alkyl or the like; R 3 is halogen, hydroxy or the like; R 4 is a hydrogen atom, alkyl or the like; and n is an integer of from 0 to 4.

  提供了一种对不受欢迎的植物具有显著除草活性的新型除草剂。一种由以下式（I）或其盐表示的吡啶并酮化合物： 其中X为—O—，—S—，—SO—，—SO2—或—N(Y)—；Q为可以由Z取代的单环芳基，可以由Z取代的单环杂芳基或类似物；Y为氢原子或烷基；Z为卤素，烷基或类似物；R1为烷基，烯烃基或类似物；R2为氢原子，烷基或类似物；R3为卤素，羟基或类似物；R4为氢原子，烷基或类似物；n为0到4的整数。
• OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM
  申请人：Masui Moriyasu

  公开号：US20140051691A1

  公开（公告）日：2014-02-20

  The present invention provides a compound of formula (I): wherein —X═ is —CR 7 ═ or —N═, ring B is a substituted or unsubstituted carbocycle or a substituted or unsubstituted heterocycle, R 1 is substituted or unsubstituted alkyl or the like, R 2 a and R 2 b are each independently hydrogen, substituted or unsubstituted alkyl or the like, R 3 and R 4 are each independently hydrogen, halogen, substituted or unsubstituted alkyl or the like, R 5 is hydrogen, substituted or unsubstituted alkyl or the like, each R 6 is independently halogen, hydroxy, substituted or unsubstituted alkyl or the like, R 7 is hydrogen, halogen, hydroxy, substituted or unsubstituted alkyl or the like, p is an integer of 0 to 3, or a pharmaceutically acceptable salt thereof which has an effect of inhibiting amyloid β production, especially an effect of inhibiting BACE1, and which is useful as a therapeutic or prophylactic agent for diseases induced by production, secretion and/or deposition of amyloid β proteins.

  本发明提供了一种化合物的公式(I)：其中—X═是—CR7═或—N═，环B是取代或未取代的碳环或取代或未取代的杂环，R1是取代或未取代的烷基或类似物，R2和R2'分别独立地是氢、取代或未取代的烷基或类似物，R3和R4分别独立地是氢、卤素、取代或未取代的烷基或类似物，R5是氢、取代或未取代的烷基或类似物，每个R6独立地是卤素、羟基、取代或未取代的烷基或类似物，R7是氢、卤素、羟基、取代或未取代的烷基或类似物，p是0到3的整数，或其在药学上可接受的盐，具有抑制淀粉样蛋白β产生的作用，特别是抑制BACE1的作用，并且可用作由淀粉样蛋白β蛋白的产生、分泌和/或沉积引起的疾病的治疗或预防剂。
• PYRAZOLE AMIDE COMPOUNDS AND USES THEREOF
  申请人：Liu Changling

  公开号：US20130225585A1

  公开（公告）日：2013-08-29

  Disclosed is a pyrazole amide compound having fungicidal activity, with a structure shown by the general formula (I): Each of the substituents of the compound being defined as in the description. The compound of the present invention has fungicidal activity, and excellent prevention and controlling effects on diseases, such as cucumber downy mildew, corn rust, wheat powdery mildew, rice blast, etc., and in particular, a better prevention and controlling effect on cucumber downy mildew and corn rust. Also disclosed is a process for preparing the compound, a fungicidal composition containing the compound of general formula (I) and the use thereof in preventing and controlling disease in crops.

  本发明揭示了一种具有杀真菌活性的吡唑酰胺化合物，其结构由通式（I）所示：化合物的每个取代基均如描述中所定义。本发明的化合物具有杀真菌活性，并对瓜类霜霉病、玉米锈病、小麦白粉病、水稻稻瘟等疾病具有优异的预防和控制效果，尤其对瓜类霜霉病和玉米锈病有更好的预防和控制效果。还公开了一种制备该化合物的方法，含有通式（I）化合物的杀真菌组合物以及其在农作物疾病预防和控制中的应用。
• [EN] 3.ALPHA.-HYDROXY, 17.BETA.-C(O)-N-ARYL SUBSTITUTED NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF<br/>[FR] STÉROÏDES NEUROACTIFS 3.ALPHA.-HYDROXY, 17.BETA.-C(O)-N-ARYL-SUBSTITUÉS ET COMPOSITIONS ASSOCIÉES
  申请人：SAGE THERAPEUTICS INC

  公开号：WO2021262836A1

  公开（公告）日：2021-12-30

  Provided herein is a compound of the Formula (I) or a pharmaceutically acceptable salt thereof, wherein R2a, R2b, R3a, R4a, R4b, R5, R6, R7, R11a, R11b, R15a, R15b, R16,R17, R19, RX, RY, and t are defined herein. Also provided herein are pharmaceutical compositions comprising a compound of Formula (I) and methods of using the compounds, e.g., in the treatment of CNS-related disorders.

  本文提供了一种公式(I)的化合物或其药学上可接受的盐，其中R2a，R2b，R3a，R4a，R4b，R5，R6，R7，R11a，R11b，R15a，R15b，R16，R17，R19，RX，RY和t在此定义。本文还提供了含有公式(I)的化合物的药物组合物和使用该化合物的方法，例如用于治疗中枢神经系统相关疾病。