3-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | 1383985-18-9

• 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-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• CAS: 1383985-18-9
• 化学式: C₁₂H₁₇BClNO₂
• 分子量: 253.536
• InChiKey: MGYIWQXXNQWRQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine 在 四(三苯基膦)钯 、 草酰氯 、 potassium carbonate 、 N,N-二甲基甲酰胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 20.08h， 生成 (S)-N-(6-(5-chloro-6-methylpyridin-3-yl)pyrazin-2-yl)-2-(3-methyl-2,6-dioxo-1(2-oxopropyl)-2,3-dihydro-1H-purin-7(6H)-yl)propanamide
  参考文献：
  名称：

  [EN] INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL
  [FR] INHIBITION DE CANAL IONIQUE À POTENTIEL DE RÉCEPTEUR TRANSITOIRE A1

  摘要：

  本发明涉及化合物的公式（I），或其药用可接受的盐或组合物，并其用于治疗疼痛、呼吸状况以及抑制瞬时受体电位Al离子通道（TRPA1）的方法。

  公开号：

  WO2016044792A1
• 作为产物：
  描述：

  diethyl 2-(5-bromo-3-chloropyridin-2-yl)malonate 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 盐酸 、 potassium acetate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 1.5h， 生成 3-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
  参考文献：
  名称：

  Compounds and their use as BACE Inhibitors

  摘要：

  本发明涉及式(I)的化合物及其药物组合物。此外，本发明涉及治疗方法，用于治疗和/或预防与Aβ相关的病理，如唐氏综合症，β-淀粉样蛋白血管病，如但不限于脑淀粉样蛋白血管病或遗传性脑出血，与认知损害相关的疾病，如但不限于MCI（“轻度认知损害”），阿尔茨海默病，记忆丧失，与阿尔茨海默病相关的注意力缺陷症状，与疾病如阿尔茨海默病或痴呆症相关的神经退行性疾病，包括混合性血管性和退行性起源的痴呆，早老性痴呆，老年性痴呆和与帕金森病、进行性上核性麻痹或皮层基底节变性相关的痴呆。

  公开号：

  US20120165347A1

文献信息

• Bicyclic sulfonamide compounds as sodium channel inhibitors
  申请人：AMGEN INC.

  公开号：US09212182B2

  公开（公告）日：2015-12-15

  The present invention provides compounds of Formula I, and pharmaceutically acceptable salts thereof, that are inhibitors of voltage-gated sodium channels, in particular Nav1.7. The compounds are useful for the treatment of diseases associated with the activity of sodium channels such as pain disorders and itch. Also provided are pharmaceutical compositions containing compounds of the present invention.

  本发明提供了式I的化合物及其药学上可接受的盐，这些化合物是钠通道的抑制剂，特别是Nav1.7。这些化合物对于治疗与钠通道活性相关的疾病，如疼痛障碍和瘙痒，是有用的。还提供了含有本发明化合物的药物组合物。
• [EN] MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS<br/>[FR] DÉRIVÉS D'AZOLOPYRIDINE MACROCYCLIQUES UTILISÉS EN TANT QUE MODULATEURS EED ET PRC2
  申请人：FULCRUM THERAPEUTICS INC

  公开号：WO2020190754A1

  公开（公告）日：2020-09-24

  The invention relates to modulators of Embryonic Ectoderm Development (EED) and/or Polycomb Repressive Complex 2 (PRC2) useful in the treatment of disorders and diseases associated with EEC and PRC2, being macrocyclic azolopyridine derivatives and compositions thereof of Formula (I), or a pharmaceutically acceptable salt, prodrug, solvate, hydrate, enantiomer, isomer, or tautomer thereof, wherein X1, X2, X3, A1, A2, Y, R1, R2, R3, and R4 are as described herein.

  本发明涉及用于治疗与Embryonic Ectoderm Development (EED)和/或Polycomb Repressive Complex 2 (PRC2)相关的疾病和障碍的调节剂，是式(I)所示的宏环唑啉衍生物及其组合物，或其药用可接受的盐、前药、溶剂化物、水合物、对映体、异构体或互变异构体，其中X1、X2、X3、A1、A2、Y、R1、R2、R3和R4如本文所述。
• [EN] MONO-FLUORO BETA-SECRETASE INHIBITORS<br/>[FR] INHIBITEURS DE MONO FLUORO-BÊTA-SECRETASE
  申请人：ASTRAZENECA AB

  公开号：WO2013054108A1

  公开（公告）日：2013-04-18

  Beta-secretase inhibitors, of formula (I) as described in the specification, pharmaceutical compositions comprising them and therapeutic methods using them for the treatment and/or prevention of Αβ-related pathologies such as Down's syndrome, β-amyloid angiopathy such as but not limited to cerebral amyloid angiopathy or hereditary cerebral hemorrhage, disorders associated with cognitive impairment such as but not limited to MCI ("mild cognitive impairment"), Alzheimer's Disease, memory loss, attention deficit symptoms associated with Alzheimer's disease, neurodegeneration associated with diseases such as Alzheimer's disease or dementia including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease, progressive supranuclear palsy or cortical basal degeneration.

  Beta-secretase抑制剂，其化学式为（I）如规范中所述，包括它们的药物组合物以及利用它们用于治疗和/或预防Αβ相关病理，如唐氏综合症、β-淀粉样蛋白血管病，例如但不限于脑淀粉样蛋白血管病或遗传性脑出血，与认知障碍相关的疾病，例如但不限于轻度认知障碍（MCI），阿尔茨海默病，记忆丧失，与阿尔茨海默病相关的注意力缺陷症状，与疾病相关的神经退行性疾病，例如阿尔茨海默病或痴呆症，包括混合性血管性和退行性起源的痴呆、早老性痴呆、老年性痴呆和与帕金森病、进行性上核性麻痹或皮质基底变性相关的痴呆。
• BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS
  申请人：AMGEN INC.

  公开号：US20140371201A1

  公开（公告）日：2014-12-18

  The present invention provides compounds of Formula I, and pharmaceutically acceptable salts thereof, that are inhibitors of voltage-gated sodium channels, in particular Nav1.7. The compounds are useful for the treatment of diseases associated with the activity of sodium channels such as pain disorders and itch. Also provided are pharmaceutical compositions containing compounds of the present invention.

  本发明提供了I式化合物及其药学上可接受的盐，该化合物是电压门控钠通道的抑制剂，尤其是Nav1.7。该化合物可用于治疗与钠通道活性相关的疾病，如疼痛障碍和瘙痒。还提供了含有本发明化合物的制药组合物。
• Compounds and their use as BACE inhibitors
  申请人：Astrazeneca AB

  公开号：US08865911B2

  公开（公告）日：2014-10-21

  The present invention relates to compounds of formula (I) and their pharmaceutical compositions. In addition, the present invention relates to therapeutic methods for the treatment and/or prevention of Aβ-related pathologies such as Down's syndrome, β-amyloid angiopathy such as but not limited to cerebral amyloid angiopathy or hereditary cerebral hemorrhage, disorders associated with cognitive impairment such as but not limited to MCI (“mild cognitive impairment”), Alzheimer's disease, memory loss, attention deficit symptoms associated with Alzheimer's disease, neurodegeneration associated with diseases such as Alzheimer's disease or dementia including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease, progressive supranuclear palsy or cortical basal degeneration.

  本发明涉及式（I）化合物及其药物组合物。此外，本发明涉及治疗和/或预防与Aβ相关的病理状况，如唐氏综合症、β-淀粉样物质血管病，如但不限于脑淀粉样物质血管病或遗传性脑出血，与认知障碍相关的疾病，如但不限于轻度认知障碍（MCI）、阿尔茨海默病、记忆力下降、与阿尔茨海默病相关的注意力缺陷症状，与疾病相关的神经退行性疾病，如阿尔茨海默病或痴呆症，包括混合血管性和退行性起源的痴呆、早老性痴呆、老年性痴呆和与帕金森病、进行性核上性麻痹或皮质基底节变性相关的痴呆的治疗方法。