N-ethyl-4-formyl-benzamide | 104478-16-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-ethyl-4-formyl-benzamide
• 英文别名: 4-formyl-benzoic acid ethylamide；4-Formyl-benzoesaeure-aethylamid；N-ethyl-4-formylbenzamide
• CAS: 104478-16-2
• 化学式: C₁₀H₁₁NO₂
• mdl: MFCD18381839
• 分子量: 177.203
• InChiKey: IVFFMMNZTKCXEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(6-methyl-2-phenylamino-pyridin-3-yl)-ethanone 、 N-ethyl-4-formyl-benzamide 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Discovery of a novel series of 4-quinolone JNK inhibitors

  摘要：

  A novel series of highly selective JNK inhibitors based on the 4-quinolone scaffold was designed and synthesized. Structure based drug design was utilized to guide the compound design as well as improvements in the physicochemical properties of the series. Compound (13c) has an IC50 of 62/170 nM for JNK1/2, excellent kinase selectivity and impressive efficacy in a rodent asthma model. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.10.066
• 作为产物：
  描述：

  4-羟甲基苯甲酸乙酯 以25%的产率得到
  参考文献：
  名称：

  BRION, JEAN-DANIEL;LE, BAUT GUILLAUME;DUCREY, PATRICK;PIESSARD-ROBERT, SY+

  摘要：

  DOI：

文献信息

• New heteroarotinoid compounds
  申请人：Adir et Cie

  公开号：US04975455A1

  公开（公告）日：1990-12-04

  Compounds of general formula (I): ##STR1## in which: R denotes a hydrogen atom, a halogen atom or a hydroxy, lower alkyl, lower alkyloxy, carboxyl, (lower alkyloxy)carbonyl, (lower arylalkyloxy)carbonyl, aminocarbonyl, (lower mono- or dialkyl)aminocarbonyl or (lower arylalkyl)aminocarbonyl group, an aminocarbonyl group N-substituted with a heterocyclic radical, or a thio, (lower alkyl)thio, sulfonyl or (lower alkyl)sulfonyl group, R.sub.1, R.sub.2, R.sub.3 and R.sub.4, which may be identical or different, denote a hydrogen atom, a halogen atom or a lower alkyl, lower alkenyl, lower alkyloxy or lower alkenyloxy group, optionally substituted with one or more halogen atoms, their isomers, enantiomers, diastereoisomers and also, when R denotes a carboxyl, their addition salts with a pharmaceutically acceptable base and, when R contains a basic group, their addition salts with a pharmaceutically acceptable acid.

  通式（I）的化合物：##STR1##其中：R表示氢原子、卤原子或羟基、低烷基、低烷氧基、羧基、（低烷氧基）羰基、（低芳基烷氧基）羰基、氨基羰基、（低烷基或双烷基）氨基羰基或（低芳基烷基）氨基羰基、带有杂环基团的N-取代氨基羰基，或硫基、（低烷基）硫基、磺酰基或（低烷基）磺酰基，R.sub.1、R.sub.2、R.sub.3和R.sub.4，可能相同也可能不同，表示氢原子、卤原子或低烷基、低烯基、低烷氧基或低烯氧基，可选地取代一个或多个卤原子，它们的异构体、对映体、非对映体异构体，以及当R表示羧基时，它们与药学上可接受的碱形成的加合盐，以及当R含有碱性基团时，它们与药学上可接受的酸形成的加合盐。
• [EN] PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS<br/>[FR] PYRAZOLO[4,3-D]PYRIMIDINES UTILES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2014060112A1

  公开（公告）日：2014-04-24

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及具有式（I）的新化合物，其能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体。这些化合物可用于治疗多种疾病。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和激素相关疾病。
• PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS
  申请人：ORIGENIS GMBH

  公开号：US20150266882A1

  公开（公告）日：2015-09-24

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及化合物(I)的新型化合物，能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体。这些化合物在治疗多种疾病方面有应用。这些疾病包括自身免疫疾病、炎症性疾病、骨病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼病、传染病和激素相关疾病。
• Synthesis of a bifunctional complex
  申请人：Nuevolution A/S

  公开号：EP2348124A2

  公开（公告）日：2011-07-27

  Disclosed is a method for obtaining a bifunctional complex comprising a display molecule part and a coding part wherein a nascent bifunctional complex comprising a chemical reaction site and priming site for enzymatic addition of a tag is reacted at the chemical reaction site with one or more reactants, and provided with respective tag(s) identifying the reactant(s) at the priming site using one or more enzymes.

  本发明公开了一种获得包含显示分子部分和编码部分的双功能复合物的方法，其中包含化学反应位点和用于酶加标记的引物位点的新生双功能复合物在化学反应位点与一种或多种反应物反应，并在引物位点使用一种或多种酶提供识别反应物的相应标记。
• Method for the synthesis of a bifunctional complex
  申请人：Nuevolution A/S

  公开号：EP2348125A2

  公开（公告）日：2011-07-27

  Disclosed is a method for obtaining a bifunctional complex comprising a display molecule part and a coding part wherein a nascent bifunctional complex comprising a chemical reaction site and priming site for enzymatic addition of a tag is reacted at the chemical reaction site with one or more reactants, and provided with respective tag(s) identifying the reactant(s) at the priming site using one or more enzymes.

  本发明公开了一种获得包含显示分子部分和编码部分的双功能复合物的方法，其中包含化学反应位点和用于酶加标记的引物位点的新生双功能复合物在化学反应位点与一种或多种反应物反应，并在引物位点使用一种或多种酶提供识别反应物的相应标记。