2-chloro-3-cyano-6-methylpyridine 1-oxide | 1222881-74-4

• 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
• 英文名称: 2-chloro-3-cyano-6-methylpyridine 1-oxide
• 英文别名: 3-Pyridinecarbonitrile, 2-chloro-6-methyl-, 1-oxide；2-chloro-6-methyl-1-oxidopyridin-1-ium-3-carbonitrile
• CAS: 1222881-74-4
• 化学式: C₇H₅ClN₂O
• 分子量: 168.583
• InChiKey: VCRSGJMRVBZIQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 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：
  49.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloro-3-cyano-6-methylpyridine 1-oxide 在 硫酸 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成 2-chloro-6-(hydroxymethyl)nicotinonitrile
  参考文献：
  名称：

  [EN] THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS
  [FR] THIÉNOPYRIDINE CARBOXAMIDES UTILISÉS COMME INHIBITEURS DE PROTÉASE SPÉCIFIQUE DE L'UBIQUITINE

  摘要：

  该披露涉及抑制剂USP28和/或USP25，用于治疗癌症、炎症、自身免疫疾病和传染病，具有式(I)，其中R1、R2、R3、R4、R5、R5'、R6、R7、X、m和n如本文所述。

  公开号：

  WO2017139778A1
• 作为产物：
  描述：

  2-氯-6-甲基-3-吡啶甲腈 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以29%的产率得到2-chloro-3-cyano-6-methylpyridine 1-oxide
  参考文献：
  名称：

  [EN] THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS
  [FR] THIÉNOPYRIDINE CARBOXAMIDES UTILISÉS COMME INHIBITEURS DE PROTÉASE SPÉCIFIQUE DE L'UBIQUITINE

  摘要：

  该披露涉及抑制剂USP28和/或USP25，用于治疗癌症、炎症、自身免疫疾病和传染病，具有式(I)，其中R1、R2、R3、R4、R5、R5'、R6、R7、X、m和n如本文所述。

  公开号：

  WO2017139778A1

文献信息

• [EN] PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS<br/>[FR] COMPOSÉS DE PYRAZOLE ET LEUR UTILISATION EN TANT QUE BLOQUEURS DES CANAUX CALCIQUES DE TYPE T
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2015186056A1

  公开（公告）日：2015-12-10

  The invention relates to compounds of formula (I) Formula (I) wherein X, Y, R1, R2, (R4)n, and (R5)m are as defined in the description, and to pharmaceutically acceptable salts of such compounds. These compounds are useful as calcium T-channel blockers.

  这项发明涉及式(I)的化合物。式(I)中X、Y、R1、R2、(R4)n和(R5)m的定义如描述中所述，并且涉及这些化合物的药用盐。这些化合物可用作钙T通道阻滞剂。
• Pyrazole compounds and their use as T-type calcium channel blockers
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：US10065929B2

  公开（公告）日：2018-09-04

  The invention relates to compounds of formula (I) wherein X, Y, R1, R2, (R4)n, and (R5)m are as defined in the description, and to pharmaceutically acceptable salts of such compounds. These compounds are useful as calcium T-channel blockers.

  本发明涉及式 (I) 的化合物 其中X、Y、R1、R2、(R4)n和(R5)m如描述中所定义，并涉及此类化合物的药学上可接受的盐。这些化合物可用作钙 T 通道阻滞剂。
• Thienopyridine carboxamides as ubiquitin-specific protease inhibitors
  申请人：FORMA Therapeutics, Inc.

  公开号：US10913753B2

  公开（公告）日：2021-02-09

  The disclosure relates to inhibitors of USP28 and/or USP25 useful in the treatment of cancers, inflammation, autoimmune diseases, and infectious diseases, having the Formula: where R1, R2, R3, R4, R5, R5′, R6, R7, X, m, and n are described herein.

  本公开涉及可用于治疗癌症、炎症、自身免疫性疾病和传染性疾病的 USP28 和/或 USP25 抑制剂，其具有如下式： 其中 R1、R2、R3、R4、R5、R5′、R6、R7、X、m 和 n 如本文所述。
• Discovery of a Long-Acting, Peripherally Selective Inhibitor of Catechol-<i>O</i>-methyltransferase
  作者：László E. Kiss、Humberto S. Ferreira、Leonel Torrão、Maria João Bonifácio、P. Nuno Palma、Patrício Soares-da-Silva、David A. Learmonth

  DOI：10.1021/jm1001524

  日期：2010.4.22

  Novel nitrocatechol-substituted heterocycles were designed and evaluated for their ability to inhibit catechol-O-methyltransferase (COMT). Replacement of the pyrazole core of the initial hit 4 with a 1,2,4-oxadiazole ring resulted in a series of compounds endowed with longer duration of COMT inhibition. Incorporation of a pyridine N-oxide residue at position 3 of the 1,2,4-oxadiazole ring led to analogue 37f, which was found to possess activity comparable to entacapone and lower toxicity in comparison to tolcapone. Lead structure 37f was systematically modified in order to improve selectivity and duration of COMT inhibition as well as to minimize toxicity. Oxadiazole 37d (2,5-dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine 1-oxide (BIA 9-1067)) was identified as a long-acting, purely peripheral inhibitor, which is currently under clinical evaluation as an adjunct to L-Dopa therapy of Parkinson's disease.
• PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP3152199A1

  公开（公告）日：2017-04-12