(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate | 862911-54-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: (1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate
• CAS: 862911-54-4
• 化学式: C₈H₁₂F₃NO₃S
• 分子量: 259.249
• InChiKey: MZLZISZDLMLLKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate 在 sodium tetrahydroborate 、 四(三苯基膦)钯 、 正丁基锂 、 2,4-滴二甲胺盐 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 生成 (3R,4R)-4-(2-Methoxy-phenyl)-3,4-dimethyl-piperidine-1-carboxylic acid phenyl ester
  参考文献：
  名称：

  SAR and biological evaluation of novel trans-3,4-dimethyl-4-arylpiperidine derivatives as opioid antagonists

  摘要：

  The phenolic hydroxy group of opiate-derived ligands is of known importance for biological activity. We have developed a SAR study around LY255582 by comparing the effect of the hydroxy group in the 2- and 4-position of the phenyl ring. Also, we have proved that the 3-position of the phenyl ring is optimal for opioid activity. Furthermore, we have successfully replaced the hydroxy group in LY255582 by carbamate and carboxamide groups. The new analogs have high affinity for the opioid receptors comparable to the corresponding phenol. Carboxamide analog 12 has an improved metabolism profile and proved to be efficacious in in vivo studies. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.123
• 作为产物：
  描述：

  1,3-二甲基-4-哌啶酮 、 N-苯基双(三氟甲烷磺酰)亚胺 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 以65.4 %的产率得到(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS OF USE
  [FR] COMPOSÉS ET PROCÉDÉS D'UTILISATION

  摘要：

  Provided are compounds of Formula (A) and Formula (I): (I), and pharmaceutically acceptable salts thereof, and pharmaceutical compositions, processes of preparing and methods of treating thereof; wherein Ring A, RB, Ring B, R1, R2and n are as defined in any of the embodiments described herein.

  公开号：

  WO2023146990A1

文献信息

• [EN] INDOLE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE D'INDOLE ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2019021059A1

  公开（公告）日：2019-01-31

  The present disclosure provides a compound of formula (I): or a pharmaceutically acceptable salt thereof, and its therapeutic uses for activating a growth factor pathway, promoting wound healing, promoting tissue repair, and treating hearing loss, skeletal muscle loss, organ degeneration, tissue damage, neurodegeneration, and muscular atrophy. The disclosure further provides pharmaceutical compositions and combinations. The present disclosure also relates to the use of such compounds for research or other non- therapeutic purposes.

  本公开提供了一种公式(I)的化合物：或其药用可接受的盐，及其用于激活生长因子途径、促进伤口愈合、促进组织修复以及治疗听力损失、骨骼肌损失、器官退化、组织损伤、神经退行性和肌肉萎缩的治疗用途。本公开还提供了药物组合物和组合物。本公开还涉及将此类化合物用于研究或其他非治疗目的。
• [EN] COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS UTILISABLES POUR LE TRAITEMENT DE TROUBLES À MÉDIATION PAR LE RÉCEPTEUR MÉTABOTROPIQUE 5 AU GLUTAMATE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SEPRACOR INC

  公开号：WO2010114971A1

  公开（公告）日：2010-10-07

  Provided herein are compounds and methods of synthesis thereof. The compounds provided herein are useful for the treatment, prevention, and/or management of various disorders, such as neurological disorders, psychiatric disorders, neuromuscular disorders, gastrointestinal disorders, lower urinary tract disorder, and cancer. Compounds provided herein modulate the activity of metabotropic glutamate receptor 5 (mGluR5) in the central nervous system or the periphery. Pharmaceutical formulations containing the compounds and their methods of use are also provided herein.

  本文件提供了化合物及其合成方法。本文件提供的化合物可用于治疗、预防和管理各种疾病，如神经系统疾病、精神疾病、神经肌肉疾病、胃肠疾病、下尿路疾病和癌症。本文件提供的化合物可调节中枢神经系统或外周的代谢型谷氨酸受体5（mGluR5）的活性。还提供了含有这些化合物的药物制剂及其使用方法。
• Indole derivatives and uses thereof
  申请人：NOVARTIS AG

  公开号：US10654828B2

  公开（公告）日：2020-05-19

  The present disclosure provides a compound of formula (I): or a pharmaceutically acceptable salt thereof, and its therapeutic uses for activating a growth factor pathway, promoting wound healing, promoting tissue repair, and treating hearing loss, skeletal muscle loss, organ degeneration, tissue damage, neurodegeneration, and muscular atrophy. The disclosure further provides pharmaceutical compositions and combinations. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.

  本公开提供了一种式 (I) 的化合物： 或其药学上可接受的盐，及其在激活生长因子途径、促进伤口愈合、促进组织修复和治疗听力损失、骨骼肌损失、器官退化、组织损伤、神经变性和肌肉萎缩方面的治疗用途。本公开进一步提供了药物组合物和组合物。本公开还涉及将此类化合物用于研究或其他非治疗目的。
• [EN] FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF<br/>[FR] COMPOSÉ TRICYCLIQUE CONDENSÉ, COMPOSITION PHARMACEUTIQUE ASSOCIÉE ET SON UTILISATION<br/>[ZH] 稠合三环类化合物、其药物组合物及用途
  申请人：GENFLEET THERAPEUTICS SHANGHAI INC

  公开号：WO2021239058A1

  公开（公告）日：2021-12-02

  提供一种具有式（I）所示结构的稠合三环类化合物、其药物组合物和用途。所述稠合三环类化合物作为KRAS突变的选择性抑制剂，活性高，选择性好且毒副作用低。
• FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF
  申请人：Genfleet Therapeutics (Shanghai) Inc.

  公开号：EP4159739A1

  公开（公告）日：2023-04-05

  Provided are a fused tricyclic compound having the structure shown in formula (I), a pharmaceutical composition thereof, and a use thereof. The fused tricyclic compound serves as a selective inhibitor of KRAS mutation, and has high activity, good selectivity, and reduced toxic side effects.

  提供一种并三环化合物、其药物组合物及其用途。所述并三环化合物作为KRAS突变的选择性抑制剂，具有高活性、良好的选择性，并且有毒副作用较少。