3,4-二氨基-N-(4-叔丁基苯基)苯甲酰胺 | 1021166-24-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,4-二氨基-N-(4-叔丁基苯基)苯甲酰胺
• 英文名称: 3,4-diamino-N-(4-tert-butylphenyl)benzamide
• 英文别名: 3,4-diamino-N-(4-tert-butylphenyl)-benzamide
• CAS: 1021166-24-4
• 化学式: C₁₇H₂₁N₃O
• 分子量: 283.373
• InChiKey: XCVDGPDXTUMYRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  81.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-二氨基-N-(4-叔丁基苯基)苯甲酰胺 、 methyl 3-(4-formyl-3,5-dimethylphenyl)-2,2-dimethylpropanoate 生成 3-{4-[6-(4-tert-butylphenylcarbamoyl)-1H-benzoimidazol-2-yl]-3,5-dimethylphenyl}-2,2-dimethylpropionic acid
  参考文献：
  名称：

  Organic compounds

  摘要：

  本发明提供了以下结构的化合物；A-L1-B—C-D，用于治疗或预防与动物，特别是人类DGAT1活性相关的病症或疾病。

  公开号：

  US08222248B2
• 作为产物：
  描述：

  4-氨基-3-硝基苯甲酸 在 platinum on carbon 、 氢气 、 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 甲醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 21.0h， 生成 3,4-二氨基-N-(4-叔丁基苯基)苯甲酰胺
  参考文献：
  名称：

  Intestinally Targeted Diacylglycerol Acyltransferase 1 (DGAT1) Inhibitors Robustly Suppress Postprandial Triglycerides

  摘要：

  High DGAT1 expression levels in the small intestine highlight the critical role this enzyme plays in nutrient absorption. Identification of inhibitors which predominantly inhibit DGAT1 in the gut is an attractive drug discovery strategy with anticipated benefits of reduced systemic toxicity. In this report we describe our discovery and optimization of DGAT1 inhibitors whose plasma exposure is minimized by the action of transporters, including the P-glycoprotein transporter. The impact of this unique absorption profile on efficacy in rat and dog efficacy models is presented.

  DOI：

  10.1021/ml3000512

文献信息

• ORGANIC COMPOUNDS
  申请人：Sung Moo Je

  公开号：US20110046133A1

  公开（公告）日：2011-02-24

  The present invention provides compounds of the following structure; A-L1-B-C-D that are useful for treating or preventing conditions or disorders associated with DGAT1 activity in animals, particularly humans.

  本发明提供了以下结构的化合物；A-L1-B-C-D，这些化合物对于治疗或预防与动物（尤其是人类）中DGAT1活性相关的疾病或疾病非常有用。
• US8222248B2
  申请人：——

  公开号：US8222248B2

  公开（公告）日：2012-07-17
• [EN] ORGANIC COMPOUNDS<br/>[FR] Composés organiques
  申请人：NOVARTIS AG

  公开号：WO2008048991A2

  公开（公告）日：2008-04-24

  [EN] The present invention provides compounds of the following structure; A-L1-B-C-D that are useful for treating or preventing conditions or disorders associated with DGAT1 activity in animals, particularly humans.
  [FR] La présente invention concerne des composés de structure suivante ; A-L1-B-C-D qui sont utiles pour le traitement ou la prévention de maladies ou de troubles associés avec l'activité DGAT1 chez les animaux, notamment les hommes.
• Intestinally Targeted Diacylglycerol Acyltransferase 1 (DGAT1) Inhibitors Robustly Suppress Postprandial Triglycerides
  作者：Michael H. Serrano-Wu、Gary M. Coppola、Yongjin Gong、Alan D. Neubert、Ricardo Chatelain、Kevin B. Clairmont、Renee Commerford、Theresa Cosker、Thomas Daniels、Ying Hou、Monish Jain、Marlene Juedes、Lisha Li、Tara Mullarkey、Erik Rocheford、Moo Je Sung、Andrew Tyler、Qing Yang、Taeyoung Yoon、Brian K. Hubbard

  DOI：10.1021/ml3000512

  日期：2012.5.10

  High DGAT1 expression levels in the small intestine highlight the critical role this enzyme plays in nutrient absorption. Identification of inhibitors which predominantly inhibit DGAT1 in the gut is an attractive drug discovery strategy with anticipated benefits of reduced systemic toxicity. In this report we describe our discovery and optimization of DGAT1 inhibitors whose plasma exposure is minimized by the action of transporters, including the P-glycoprotein transporter. The impact of this unique absorption profile on efficacy in rat and dog efficacy models is presented.
• Organic compounds
  申请人：Novartis AG

  公开号：US08222248B2

  公开（公告）日：2012-07-17

  The present invention provides compounds of the following structure; A-L1-B—C-D that are useful for treating or preventing conditions or disorders associated with DGAT1 activity in animals, particularly humans.

  本发明提供了以下结构的化合物；A-L1-B—C-D，用于治疗或预防与动物，特别是人类DGAT1活性相关的病症或疾病。