3-(trifluoromethyl)pyridine-4-thiol | 1806316-97-1

• 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: 3-(trifluoromethyl)pyridine-4-thiol
• 英文别名: 4-Mercapto-3-(trifluoromethyl)pyridine；3-(trifluoromethyl)-1H-pyridine-4-thione
• CAS: 1806316-97-1
• 化学式: C₆H₄F₃NS
• 分子量: 179.166
• InChiKey: INLMQIAWUTTWIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(trifluoromethyl)pyridine-4-thiol 在 盐酸羟胺 作用下， 生成 N-[1-(2,5-dichlorothiophen-3-yl)-2-[3-(trifluoromethyl)pyridin-4-yl]sulfanylethylidene]hydroxylamine
  参考文献：
  名称：

  Ago-allosteric modulators of human glucagon-like peptide 2 receptor

  摘要：

  Glucagon-like peptide 2 (GLP-2) is an intestinotropic peptide that binds to GLP-2 receptor (GLP-2R), a class-B G protein-coupled receptor (GPCR). Few synthetic agonists have been reported so far for class-B GPCRs. Here, we report the first scaffold compounds of ago-allosteric modulators for human GLP-2R, derived from methyl 2-{[(2Z)-2-(2,5-dichlorothiophen-3-yl)-2-(hydroxyimino) ethyl] sulfanyl}benzoate (compound 1). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.026
• 作为产物：
  描述：

  4-氯-3-三氟甲基吡啶 在 sodium hydrogen sulfide 作用下， 生成 3-(trifluoromethyl)pyridine-4-thiol
  参考文献：
  名称：

  Ago-allosteric modulators of human glucagon-like peptide 2 receptor

  摘要：

  Glucagon-like peptide 2 (GLP-2) is an intestinotropic peptide that binds to GLP-2 receptor (GLP-2R), a class-B G protein-coupled receptor (GPCR). Few synthetic agonists have been reported so far for class-B GPCRs. Here, we report the first scaffold compounds of ago-allosteric modulators for human GLP-2R, derived from methyl 2-{[(2Z)-2-(2,5-dichlorothiophen-3-yl)-2-(hydroxyimino) ethyl] sulfanyl}benzoate (compound 1). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.026

文献信息

• PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF
  申请人：SHANGHAI BLUERAY BIOPHARMA CO., LTD.

  公开号：US20210053989A1

  公开（公告）日：2021-02-25

  Disclosed in the present disclosure are a pyrimidine-fused cyclic compound or a pharmaceutically acceptable salt, hydrate, prodrug, stereoisomer, solvate or isotope labeled compound thereof. Also provided in the present disclosure are a preparation method for the compound, a composition comprising the compound and a use of the compound for the preparation of a medicament for the prevention and/or treatment of a disease or condition associated with abnormal SHP2 activity.

  本公开涉及一种嘧啶融合的环状化合物或其药用可接受的盐、水合物、前药、立体异构体、溶剂合物或同位素标记化合物。本公开还提供了该化合物的制备方法、包含该化合物的组合物以及该化合物用于制备与异常SHP2活性相关的疾病或病况的药物的用途。
• [EN] COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR INHIBER L'ACTIVITÉ DE SHP2
  申请人：NOVARTIS AG

  公开号：WO2016203405A1

  公开（公告）日：2016-12-22

  The present invention relates to compounds of formula I. The compounds are inhibitors of the Src Homolgy-2 phosphatase (SHP2) and thus useful in the treatment of Noonan Syndrome, Leopard Syndrome and cancer.

  本发明涉及式I的化合物。这些化合物是Src同源-2磷酸酶（SHP2）的抑制剂，因此在努南综合征、豹纹综合征和癌症的治疗中有用。
• Compounds and compositions for inhibiting the activity of SHP2
  申请人：Chen Zhuoliang

  公开号：US10308660B2

  公开（公告）日：2019-06-04

  The present invention relates to compounds of formula I: in which X1, X2, X3, Y1, Y2, Y3, R1, R2, R3a, R4a, R4b, R5a, R5b, R6a and R6b are defined in the Summary of the Invention; capable of inhibiting the activity of SHP2. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds and compositions in the management of diseases or disorders associated with the aberrant activity of SHP2.

  本发明涉及式 I 的化合物： 其中X1、X2、X3、Y1、Y2、Y3、R1、R2、R3a、R4a、R4b、R5a、R5b、R6a和R6b在发明概述中定义；能够抑制SHP2的活性。本发明进一步提供了制备本发明化合物的工艺、包含此类化合物的药物制剂以及使用此类化合物和组合物治疗与 SHP2 活性异常有关的疾病或紊乱的方法。
• Pyrimidine-fused cyclic compound, preparation method therefor and application thereof
  申请人：BLUERAY THERAPEUTICS (SHANGHAI) CO., LTD.

  公开号：US11498930B2

  公开（公告）日：2022-11-15

  Disclosed in the present disclosure are a pyrimidine-fused cyclic compound or a pharmaceutically acceptable salt, hydrate, prodrug, stereoisomer, solvate or isotope labeled compound thereof. Also provided in the present disclosure are a preparation method for the compound, a composition comprising the compound and a use of the compound for the preparation of a medicament for the prevention and/or treatment of a disease or condition associated with abnormal SHP2 activity.

  本公开披露了一种嘧啶融合环状化合物或其药学上可接受的盐、水合物、原药、立体异构体、溶解物或同位素标记化合物。本公开还提供了该化合物的制备方法、包含该化合物的组合物以及该化合物用于制备预防和/或治疗与 SHP2 活性异常相关的疾病或病症的药物的用途。
• [EN] PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF<br/>[FR] COMPOSÉ CYCLIQUE FUSIONNÉ À UNE PYRIMIDINE, SON PROCÉDÉ DE PRÉPARATION ET SON APPLICATION<br/>[ZH] 嘧啶并环化合物及其制备方法和应用
  申请人：SHANGHAI BLUERAY BIOPHARMA CO LTD

  公开号：WO2019158019A1

  公开（公告）日：2019-08-22

  本发明公开了嘧啶并环化合物、其药学上可接受的盐、水合物、前药、立体异构体、溶剂化物或其同位素标记化合物，本发明也提供了该类化合物的制备方法、含有该类化合物的组合物以及该类化合物用于在制备预防和/或治疗与SHP2活性异常相关疾病或病症的药物方面的用途。