6-methyl-heptanoic acid amide | 2979-83-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-methyl-heptanoic acid amide
• 英文别名: 6-Methyl-heptansaeure-amid；6-Methylheptanoic acid amide；6-Methyl-heptansaeureamid；6-Methylheptanamide
• CAS: 2979-83-1
• 化学式: C₈H₁₇NO
• mdl: MFCD05863302
• 分子量: 143.229
• InChiKey: GCFFEDDKOQBMIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-酮丁酸 、 6-methyl-heptanoic acid amide 以 甲苯 为溶剂， 以7%的产率得到(Z)-2-(6-methylheptanoylamino)but-2-enoic acid
  参考文献：
  名称：

  Inhibition of the mammalian .beta.-lactamase renal dipeptidase (dehydropeptidase-I) by Z-2-(acylamino)-3-substituted-propenoic acids

  摘要：

  The title enzyme deactivates the potent carbapenem antibiotic imipenem in the kidney, producing low antibiotic levels in the urinary tract. A series of (Z)-2-(acylamino)-3-substituted-propenoic acids (3) are specific, competitive inhibitors of the enzyme capable of increasing the urinary concentration of imipenem in vivo. Many of the compounds were prepared in one step from an alpha-keto acid and a primary amide. The optimum R2 groups are 2,2-dimethyl, -dichloro, and -dibromocyclopropyl. With R2 = 2,2-dimethylcyclopropyl (DMCP), a wide variety of R3 groups including alkyl, oxa- and thiaalkyl, and alkyl groups containing acidic, basic, and neutral substituents give effective inhibitors with Ki values of 0.02-1 microM and a range of pharmacokinetic properties. By resolution of enantiomers and X-ray crystallography, the enzyme-inhibitory activity of the DMCP group was found to reside with the 1S isomer. The cysteinyl compound 176 (cilastatin, MK-0791) has the desired pharmacological properties and has been chosen for combination with imipenem.

  DOI：

  10.1021/jm00389a018
• 作为产物：
  描述：

  异辛酰氯 在 氨 作用下， 生成 6-methyl-heptanoic acid amide
  参考文献：
  名称：

  842.从酸衍生物中消除一氧化碳。第二部分 Friedel–Crafts反应（i）与αα-二烷基戊二酸酐的反应，（ii）涉及消除的环化反应

  摘要：

  DOI：

  10.1039/jr9650004566

文献信息

• METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE
  申请人：Tomokawa Junichi

  公开号：US20130123505A1

  公开（公告）日：2013-05-16

  A carboxamide can be produced in a high yield by a method for producing a carboxamide, for example, represented by formula (4): (wherein R 1 and R 3 are as defined below), the method comprising a step of allowing a carboxylic acid ester represented by formula (1): (wherein R 1 represents an optionally substituented C 1 -C 20 hydrocarbon group or an optionally substituented C 3 -C 20 heterocyclic group, and R 2 represents an optionally substituented C 1 -C 20 hydrocarbon group), an amine represented by formula (2): R 3 —NH 2 (2) (wherein R 3 represents a hydrogen atom or an optionally substituented C 1 -C 20 hydrocarbon group), and a formamide compound represented by formula (3): (wherein R 3 is as defined above) to react in the presence of a metal alkoxide.

  通过一种生产羧酰胺的方法可以高产率生产羧酰胺，例如，如公式（4）所示的方法：（其中R1和R3如下定义），该方法包括允许由公式（1）表示的羧酸酯（其中R1表示可选取代的C1-C20烃基或可选取代的C3-C20杂环基，R2表示可选取代的C1-C20烃基），由公式（2）表示的胺：R3—NH2（2）（其中R3表示氢原子或可选取代的C1-C20烃基），以及由公式（3）表示的甲酰胺化合物（其中R3如上所定义）在金属烷氧化物存在下反应的步骤。
• STILBENE-BASED COMPOUND OR SALT THEREOF, AND POLARIZING FILM, POLARIZING PLATE, AND DISPLAY DEVICE
  申请人：NIPPON KAYAKU KABUSHIKI KAISHA

  公开号：US20200157353A1

  公开（公告）日：2020-05-21

  The present disclosure is a stilbene-based compound or a salt thereof represented by a following formula (1), wherein a group X represents a nitro group or an amino group optionally having a substituent; a group Y represents an amide group optionally having a substituent or a naphthotriazole group optionally having a substituent; and p and q each independently represent an integer of 0 to 2.

  本公开涉及一种基于stilbene的化合物或其盐，其表示如下式（1），其中X代表一个硝基或一个氨基，可选地具有取代基；Y代表一个酰胺基，可选地具有取代基，或一个萘三唑基，可选地具有取代基；p和q各自独立地代表0到2的整数。
• Substituted hydroxyethylamines
  申请人：John Varghese

  公开号：US20060106256A1

  公开（公告）日：2006-05-18

  This invention relates to prodrugs of a class of amine compounds which are useful in the treatment of Alzheimer's disease and similar diseases.

  本发明涉及一类氨基化合物的前药，该类化合物在治疗阿尔茨海默病和类似疾病方面具有用途。
• Compounds to treat Alzheimer's disease
  申请人：Fang Y. Lawrence

  公开号：US20070213407A1

  公开（公告）日：2007-09-13

  The present invention is substituted amines of formula (X) useful in treating Alzheimer's disease and other similar diseases.

  本发明涉及一种公式（X）的取代胺，用于治疗阿尔茨海默病和其他类似疾病。
• ALPHA HELIX MIMETICS AND METHODS RELATING THERETO
  申请人：Odagami Takenao

  公开号：US20120088770A1

  公开（公告）日：2012-04-12

  Alpha-helix mimetic structures and compounds represented by the formula (I) wherein the general formula and the definition of each symbol are as defined in the specification, a chemical library relating thereto, and methods relating thereto, are disclosed. Applications of these compounds in the treatment of medical conditions, e.g., cancer diseases, fibrotic diseases, and pharmaceutical compositions comprising the mimetics are further disclosed.

  本文披露了代表公式(I)的α-螺旋类似物结构和化合物，其中一般公式和每个符号的定义如规范所定义，以及与之相关的化学库和方法。此外，还披露了这些化合物在治疗医疗状况（例如癌症疾病、纤维化疾病）方面的应用，以及包括类似物的制药组合物。