2-(2,2-二甲基-丙酰基氨基)-异烟酸 | 470463-34-4

• 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
• 中文名称: 2-(2,2-二甲基-丙酰基氨基)-异烟酸
• 英文名称: 2-pivalamidoisonicotinic acid
• 英文别名: 2-(2,2-Dimethyl-propionylamino)-isonicotinic acid；2-(2,2-dimethylpropanoylamino)pyridine-4-carboxylic acid
• CAS: 470463-34-4
• 化学式: C₁₁H₁₄N₂O₃
• 分子量: 222.244
• InChiKey: LZNLPRWDHJXBEH-UHFFFAOYSA-N

物化性质

• 熔点：
  268.0-268.1°C
• 沸点：
  532.5±35.0 °C(Predicted)
• 密度：
  1.249±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  79.3
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933399090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  2-(2,2-二甲基-丙酰基氨基)-异烟酸 、 4-Propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)aniline 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2,2-dimethylpropanoylamino)-N-[4-isopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
  参考文献：
  名称：

  Pyridine Carboxamides: Potent Palm Site Inhibitors of HCV NS5B Polymerase

  摘要：

  Pyridine carboxamide-based inhibitors of the hepatitis C virus (HCV) NS5B polymerase were diversified and optimized to a variety of topologically related scaffolds. In particular, the 2-methyl nicotinic acid scaffold was developed into inhibitors with improved biochemical (IC50-GT1b = 0.014 mu M) and cell-based HCV replicon potency (EC50-GT1b = 0.7 mu M). Biophysical and biochemical characterization identified this novel series of compounds as palm site binders to HCV polymerase.

  DOI：

  10.1021/ml100128h

文献信息

• DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS
  申请人：Galemmo, JR. Robert

  公开号：US20090270413A1

  公开（公告）日：2009-10-29

  Methods and compounds effective in ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted N-type and/or T-type calcium channel activity are disclosed. Specifically, a series of compounds containing di-t-butyl phenyl piperazine derivatives of the general formula (1).

  揭示了在改善由不需要的钙通道活性特征的状况中有效的方法和化合物，特别是不需要的N型和/或T型钙通道活性。具体来说，揭示了一系列含有一般式（1）的二叔丁基苯哌嗪衍生物的化合物。
• [EN] SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIDINE SUBSTITUÉS UTILES EN TANT QU'AGONISTES DE GSK-3
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015069593A1

  公开（公告）日：2015-05-14

  The disclosure generally relates to compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands, antagonists of the NR2B receptor and may be useful for the treatment of various disorders of the central nervous system.

  该披露通常涉及到I式化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物是NR2B受体的配体，是其拮抗剂，可能对治疗中枢神经系统的各种疾病有用。
• [EN] AMIDE DERIVATIVES AS Nav1.7 and Nav1.8 BLOCKERS<br/>[FR] DÉRIVÉS D'AMIDE UTILISÉS EN TANT QUE BLOQUEURS DE NAV1,7 ET DE NAV1,8
  申请人：RAQUALIA PHARMA INC

  公开号：WO2018235851A1

  公开（公告）日：2018-12-27

  The present invention relates to amide derivatives which have blocking activities of voltage gated sodium channels as the Nav1.7 and Nav1.8 channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及酰胺衍生物，具有对Nav1.7和Nav1.8通道的阻塞活性，并且在涉及电压门控钠通道的疾病和疾病的治疗或预防中有用。该发明还涉及包含这些化合物的药物组合物，以及在涉及电压门控钠通道的疾病的预防或治疗中使用这些化合物和组合物。
• [EN] COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE LA TUBERCULOSE RÉSISTANTE AUX MÉDICAMENTS ET PERSISTANTE
  申请人：CALIFORNIA INST BIOMEDICAL RES

  公开号：WO2014190199A1

  公开（公告）日：2014-11-27

  Described herein are compounds and compositions for treating drug resistant and persistent tuberculosis. Also described herein is a method of screening for identifiying biofilm formation inhibitors.

  本文描述了用于治疗耐药和持续结核病的化合物和组合物。本文还描述了一种筛选生物膜形成抑制剂的方法。
• [EN] HETEROCYCLIC DERIVATIVES AS Nav1.7 and Nav1.8 BLOCKERS<br/>[FR] DÉRIVÉS HÉTÉROCYLCIQUES UTILISÉS EN TANT QUE BLOQUEURS NAV1.7 ET NAV1.8
  申请人：RAQUALIA PHARMA INC

  公开号：WO2020138271A1

  公开（公告）日：2020-07-02

  The present invention relates to heterocyclic derivatives which have blocking activities of voltage gated sodium channels as the Nav1.7 and Nav1.8 channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及具有阻断活性的杂环衍生物，其作用于Nav1.7和Nav1.8通道的电压门控钠通道，并且在处理或预防涉及电压门控钠通道的疾病和疾病方面具有用途。该发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及电压门控钠通道的疾病方面的用途。