3-甲氧基-2-甲基苯甲酰胺 | 135329-22-5

• 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-甲氧基-2-甲基苯甲酰胺
• 英文名称: 3-methoxy-2-methylbenzamide
• CAS: 135329-22-5
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: UVCIMIRWHXWFAI-UHFFFAOYSA-N

物化性质

• 沸点：
  251.1±33.0 °C(Predicted)
• 密度：
  1.113±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  3-甲氧基-2-甲基苯甲酰胺 、 1',2',3',4',5',6'-hexahydro[2,4']bipyridinyl 1-oxide hydrochloride 、 聚合甲醛 在 potassium carbonate 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 4.5h， 以16%的产率得到2-(1-{[(3-methoxy-2-methylbenzoyl)amino]methyl}piperidin-4-yl)pyridinium N-oxide
  参考文献：
  名称：

  Discovery of 3-Methyl-N-(1-oxy-3‘,4‘,5‘,6‘-tetrahydro-2‘H-[2,4‘-bipyridine]-1‘-ylmethyl)benzamide (ABT-670), an Orally Bioavailable Dopamine D₄ Agonist for the Treatment of Erectile Dysfunction

  摘要：

  The goal of this study was to identify a structurally distinct D-4-selective agonist with superior oral bioavailability to our first-generation clinical candidate 1a (ABT-724) for the potential treatment of erectile dysfunction. Arylpiperazines such as (heteroarylmethyl) piperazine 1a, benzamide 2, and acetamides such as 3a,b exhibit poor oral bioavailability. Structure-activity relationship (SAR) studies with the arylpiperidine template provided potent partial agonists such as 4d and 5k that demonstrated no improvement in oral bioavailability. Further optimization with the (N-oxy-2-pyridinyl) piperidine template led to the discovery of compound 6b (ABT-670), which exhibited excellent oral bioavailability in rat, dog, and monkey (68%, 85%, and 91%, respectively) with comparable efficacy, safety, and tolerability to 1a. The N-oxy-2-pyridinyl moiety not only provided the structural motif required for agonist function but also reduced metabolism rates. The SAR study leading to the discovery of 6b is described herein.

  DOI：

  10.1021/jm060662k
• 作为产物：
  描述：

  2-甲基-3-甲氧基苯甲酰氯 在 氨 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 3-甲氧基-2-甲基苯甲酰胺
  参考文献：
  名称：

  Antibacterial alkoxybenzamide inhibitors of the essential bacterial cell division protein FtsZ

  摘要：

  3-Methoxybenzamide is a weak inhibitor of the essential bacterial cell division protein FtsZ. Exploration of the structure-activity relationships of 3-methoxybenzamide analogues led to the identification of potent anti-staphylococcal compounds. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.021

文献信息

• Acetamides and benzamides that are useful in treating sexual dysfunction
  申请人：——

  公开号：US20040029887A1

  公开（公告）日：2004-02-12

  The present invention relates to the use of compounds of formula (I) 1 for the treatment of sexual dysfunction and to compositions containing compounds of formula (I) for the treatment of sexual dysfunction.

  本发明涉及使用式(I)的化合物治疗性功能障碍，以及含有式(I)化合物的组合物用于治疗性功能障碍。
• DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS
  申请人：Brotherton-Pleiss Christine E.

  公开号：US20100160388A1

  公开（公告）日：2010-06-24

  Compounds of the formula I: or pharmaceutically acceptable salts thereof, wherein m, n, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with the P2X7 purinergic receptor.

  公式I的化合物：或其药用可接受的盐，其中m、n、R1、R2、R3、R4和R5按本文件定义。还公开了制造这些化合物的方法以及使用这些化合物治疗与P2X7嘌呤能受体相关疾病的方法。
• Piperazine derivatives
  申请人：Middleton Stuart Donald

  公开号：US20050043300A1

  公开（公告）日：2005-02-24

  This invention relates to a compound of formula (I) or pharmaceutically acceptable salts, solvates or derivatives thereof, wherein R 1 to R 5 are defined in the description, and to processes for the preparation thereof, intermediates used in their preparation, compositions containing them and the uses of such derivatives. The compounds of the present invention inhibit the interaction of gp120 with CD4 and are therefore of use in the treatment of HIV, a retroviral infection genetically related to HIV, or AIDS.

  这项发明涉及一种具有化学式(I)的化合物 或其药用可接受的盐、溶剂合物或衍生物，其中R 1 至R 5 在描述中有定义，并涉及其制备方法、制备中使用的中间体、含有它们的组合物以及这些衍生物的用途。 本发明的化合物抑制gp120与CD4的相互作用，因此在治疗HIV、与HIV有遗传关系的逆转录病毒感染或艾滋病方面有用。
• Indole derivatives useful for the treatment of diseases
  申请人：Brown Daniel Alan

  公开号：US20050085526A1

  公开（公告）日：2005-04-21

  The invention relates to indole derivatives and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The indole derivatives according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  本发明涉及吲哚衍生物及其制备过程，用于制备中间体、含有该衍生物的组合物以及使用该衍生物的用途。根据本发明，这些吲哚衍生物在许多疾病、失调和状况中非常有用，特别是在炎症、过敏和呼吸系统疾病、失调和状况中。
• Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex
  申请人：Intrexon Corporation

  公开号：EP2455375A2

  公开（公告）日：2012-05-23

  The present invention relates to non-steroidal ligands for use in nuclear receptor-based inducible gene expression system, and a method to modulate exogenous gene expression in which an ecdysone receptor complex comprising: a DNA binding domain; a ligand binding domain; a transactivation domain; and a ligand is contracted with a DNA construct comprising: the exogenous gene and a response element; wherein the exogenous gene is under the control of the response element and binding of the DNA binding domain to the response element in the presence of the ligand results in activation or suppression of the gene.

  本发明涉及用于基于核受体的可诱导基因表达系统的非甾体配体，以及一种调节外源基因表达的方法，其中蜕皮激素受体复合物包括：DNA 结合结构域；配体结合结构域；转活结构域；以及配体：外源基因和反应元件；其中外源基因受反应元件控制，在配体存在的情况下，DNA 结合域与反应元件结合导致基因的激活或抑制。