N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methylamine | 893641-32-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methylamine
• 英文别名: 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine
• CAS: 893641-32-2
• 化学式: C₇H₁₂N₂O
• mdl: MFCD08701362
• 分子量: 140.185
• InChiKey: KUSBHINLXPYBKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  38.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  草酸乙酯 、 N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methylamine 以 乙腈 为溶剂， 反应 6.0h， 以57 mg的产率得到N¹-((3,5-dimethylisoxazol-4-yl)methyl)-N¹-methyl-N²-phenyloxamide
  参考文献：
  名称：

  2,2,2-Trifluoroethyl Chlorooxoacetate—Universal Reagent for One-Pot Parallel Synthesis of N¹-Aryl-N²-alkyl-Substituted Oxamides

  摘要：

  A one-pot parallel synthesis of N-1-aryl-N-2-alkyl-substituted oxamides with 2,2,2-trifluoroethyl chlorooxoacetate was developed. The synthesis of a library of 45 oxamides revealed higher efficiency of this reagent over the known ethyl chlorooxoacetate. The reagent was successfully used to prepare the known oxamide-containing HIV entry inhibitors.

  DOI：

  10.1021/acscombsci.5b00091

文献信息

• [EN] PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE PROTÉINE TYROSINE PHOSPHATASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：CALICO LIFE SCIENCES LLC

  公开号：WO2020186199A1

  公开（公告）日：2020-09-17

  Provided herein are compounds, compositions, and methods useful for inhibiting protein tyrosine phosphatase, e.g., protein tyrosine phosphatase non-receptor type 2 (PTPN2) and/or protein tyrosine phosphatase non-receptor type 1 (PTPN1), and for treating related diseases, disorders and conditions favorably responsive to PTPN 1 or PTPN2 inhibitor treatment, e.g., a cancer or a metabolic disease.

  本文提供了用于抑制蛋白酪氨酸磷酸酶的化合物、组合物和方法，例如蛋白酪氨酸磷酸酶非受体型2（PTPN2）和/或蛋白酪氨酸磷酸酶非受体型1（PTPN1），以及用于治疗对PTPN1或PTPN2抑制剂治疗有良好反应的相关疾病、紊乱和状况的方法，例如癌症或代谢性疾病。
• 2,2,2-Trifluoroethyl Oxalates in the One-Pot Parallel Synthesis of Hindered Aliphatic Oxamides
  作者：Andrey V. Bogolubsky、Yurii S. Moroz、Pavel K. Mykhailiuk、Sergey E. Pipko、Alexander V. Grishchenko、Anton V. Zhemera、Anzhelika I. Konovets、Roman A. Doroschuk、Yurii V. Dmytriv、Olga A. Zaporozhets、Andrey Tolmachev

  DOI：10.1002/ejoc.201501579

  日期：2016.4

  A simple parallel synthesis approach to unsymmetrical N1,N2-substituted aliphatic oxamides using methyl (2,2,2-trifluoroethyl) oxalate and bis(2,2,2-trifluoroethyl) oxalate was developed. The method was validated on a 52-membered set of the oxamides, derived mainly from hindered primary and secondary aliphatic amines, and gave the products with a high overall success rate in moderate yields.

  开发了一种使用草酸甲酯 (2,2,2-三氟乙基) 和草酸双 (2,2,2-三氟乙基) 酯合成不对称 N1,N2 取代脂肪族草酰胺的简单平行合成方法。该方法在 52 元草酰胺组上进行了验证，草酰胺主要来自受阻的伯胺和仲脂肪胺，并以中等产率获得了具有高总体成功率的产品。
• [EN] INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES<br/>[FR] INGÉNOL-3-ACYLATES III ET INGÉNOL-3-CARBAMATES
  申请人：LEO PHARMA AS

  公开号：WO2012083953A1

  公开（公告）日：2012-06-28

  The invention relates to compounds of general formula I wherein R is heteroaryl optionally substituted by R7; or R is heterocycloalkyl or heterocycloalkenyl, optionally substituted by R8; or R is X wherein X is -NR11R12; and pharmaceutically acceptable salts, hydrates, or solvates thereof, for use -alone or in combination with one or more other pharmaceutically active compounds- in therapy, for preventing, treating or ameliorating diseases or conditions responsive to stimulation of neutrophil oxidative burst, responsive to stimulation of keratinocyte IL-8 release or responsive to induction of necrosis.

  该发明涉及一般式I的化合物，其中R为杂环芳基，可选择地由R7取代；或R为杂环烷基或杂环烯基，可选择地由R8取代；或R为X，其中X为-NR11R12；以及其在治疗中的药物可接受的盐、水合物或溶剂合物，用于单独使用或与一个或多个其他药用活性化合物结合在一起，用于预防、治疗或改善对中性粒细胞氧化爆发的刺激响应、对角质细胞IL-8释放的刺激响应或对坏死诱导的刺激响应的疾病或症状。
• INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES
  申请人：Grue-Sørensen Gunnar

  公开号：US20140303150A1

  公开（公告）日：2014-10-09

  The invention relates to compounds of general formula I wherein R is heteroaryl optionally substituted by R7; or R is heterocycloalkyl or heterocycloalkenyl, optionally substituted by R8; or R is X wherein X is —NR11R12; and pharmaceutically acceptable salts, hydrates, or solvates thereof, for use—alone or in combination with one or more other pharmaceutically active compounds—in therapy, for preventing, treating or ameliorating diseases or conditions responsive to stimulation of neutrophil oxidative burst, responsive to stimulation of keratinocyte IL-8 release or responsive to induction of necrosis.

  本发明涉及一般式I的化合物，其中R是杂环芳基，可选择由R7取代; 或R是杂环烷基或杂环烯基，可选择由R8取代; 或R是X，其中X是—NR11R12;以及其药学上可接受的盐、水合物或溶剂化物，用于治疗，单独或与一个或多个其他药学活性化合物联合使用，预防、治疗或改善对嗜中性粒细胞氧化爆发刺激、对角质细胞IL-8释放刺激或对坏死诱导反应的疾病或病情的响应。
• TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160152628A1

  公开（公告）日：2016-06-02

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective ROCK inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating cardiovascular, smooth muscle, oncologic, neuropathologic, autoimmune, fibrotic, and/or inflammatory disorders using the same.

  本发明提供了式（I）的化合物：或其立体异构体，互变异构体或药学上可接受的盐，其中所有变量如本文所定义。这些化合物是选择性ROCK抑制剂。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗心血管，平滑肌，肿瘤，神经病理，自身免疫，纤维化和/或炎症性疾病的方法。