4-methyl-hexanoic acid amide | 1189-54-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: 4-methyl-hexanoic acid amide
• 英文别名: 4-Methyl-hexansaeure-amid；4-Methylhexan-amid；4-Methylhexanamide
• CAS: 1189-54-4
• 化学式: C₇H₁₅NO
• mdl: MFCD19203820
• 分子量: 129.202
• InChiKey: CFGXZAUJIGCQSD-UHFFFAOYSA-N

物化性质

• 熔点：
  96.5 °C
• 沸点：
  259.6±8.0 °C(Predicted)
• 密度：
  0.889±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 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：

  4-methyl-hexanoic acid amide 、 氯甲酸乙酯 生成 1-N-Carbaethoxyamino-4-methyl-hexan
  参考文献：
  名称：

  Carbethoxynitrene. Stereochemistry of the intermolecular singlet carbon-hydrogen insertion

  摘要：

  DOI：

  10.1021/ja01046a029
• 作为产物：
  描述：

  4-Methylhexansaeurechlorid 在 氨 作用下， 生成 4-methyl-hexanoic acid amide
  参考文献：
  名称：

  Kurtz,P., Justus Liebigs Annalen der Chemie, 1962, vol. 658, p. 6 - 20

  摘要：

  DOI：

文献信息

• 1,2-Di(cyclic)substituted benzene compounds
  申请人：Kawahara Tetsuya

  公开号：US20050261291A1

  公开（公告）日：2005-11-24

  In one aspect, the present invention provides compounds having formula (1) or (100), a salt thereof or a hydrate of the foregoing, which compounds exhibit excellent cell adhesion inhibitory action or cell infiltration inhibitory action, and are useful as therapeutic or prophylactic agents for various inflammatory diseases and autoimmune diseases associated with adhesion and infiltration of leukocytes, such as inflammatory bowel disease (particularly ulcerative colitis or Crohn's disease), irritable bowel syndrome; rheumatoid arthritis, psoriasis, multiple sclerosis, asthma and atopic dermatitis. wherein R10 represents optionally substituted cycloalkyl, etc., R20-23 represent hydrogen, alkyl, alkoxy, etc., R30-32 represent hydrogen, alkyl, oxo, etc., and R40 represents optionally substituted alkyl, etc.

  在一个方面，本发明提供具有式（1）或（100）的化合物，其盐或前述的水合物，这些化合物表现出优异的细胞粘附抑制作用或细胞浸润抑制作用，并且可用作治疗或预防与白细胞粘附和浸润相关的各种炎症性疾病和自身免疫疾病的药物，例如炎症性肠病（尤其是溃疡性结肠炎或克罗恩病）、肠易激综合征；类风湿性关节炎、牛皮癣、多发性硬化、哮喘和特应性皮炎。 其中R10代表可选择地取代的环烷基等，R20-23代表氢、烷基、烷氧基等，R30-32代表氢、烷基、氧代基等，R40代表可选择地取代的烷基等。
• [EN] 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS<br/>[FR] UTILISATION DE COMPOSES HETEROARYLES A SUBSTITUTION 3-ALKYLIDENEHYDRAZINO EN TANT QU'ACTIVATEURS DU RECEPTEUR DE LA THROMBOPOIETINE
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2004108683A1

  公开（公告）日：2004-12-16

  A compound represented by the formula (1): wherein A is a nitrogen atom or CR4, B is an oxygen atom, a sulfur atom or NR9 (provided that when A is a nitrogen atom, B is not NH), R1 is a C2-14; aryl group, L1 is a bond, CR10R11, an oxygen atom, a sulfur atom or NR12, X is OR13, SR13 or NR14NR15, R2 is a hydrogen atom, a formyl group, a C1-10; alkyl group or the like, L2 is a bond or the like, L3 is a bond, CR17R18, an oxygen atom, a sulfur atom or NR19, L4 is a bond, CR20R21, an oxygen atom, a sulfur atom or NR22, Y is an oxygen atom, a sulfur atom or NR23, and R3 is a C2-14; aryl group, a tautomer, prodrug or pharmaceutically acceptable salt of the compound or a solvate thereof.

  化合物的结构式（1）如下：其中A是氮原子或CR4，B是氧原子、硫原子或NR9（但当A是氮原子时，B不是NH），R1是C2-14芳基，L1是键，CR10R11、氧原子、硫原子或NR12，X是OR13、SR13或NR14NR15，R2是氢原子、甲酰基、C1-10烷基或类似物，L2是键或类似物，L3是键，CR17R18、氧原子、硫原子或NR19，L4是键，CR20R21、氧原子、硫原子或NR22，Y是氧原子、硫原子或NR23，R3是C2-14芳基、化合物的互变异构体、前药或药学上可接受的盐或其溶剂化合物。
• BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：Katayama Seiji

  公开号：US20130116227A1

  公开（公告）日：2013-05-09

  Disclosed is a novel biaryl amide derivative represented by formula (1) and having an affinity for the aldosterone receptor; also disclosed is a pharmaceutically acceptable salt thereof. (In the formula, A is any of the groups represented by formula (a); L is —CONH—, etc.; R 1 is a substitutable aminosulfonyl group, etc.; R 2 is a hydrogen atom, etc.; R 3 is a hydrogen atom, etc.; R 4 is a hydrogen atom, a halogen atom, hydroxy group, a substitutable amino group, a substitutable C 1-6 alkoxy group, a substitutable 4- to 7-membered cyclic amino group, etc.; R 5a , R 5b and R 5c are each independently hydrogen atoms, etc.; R 6 is a halogen atom, a cyano group, etc.; R 7 and R 8 are each independently a hydrogen atom, etc.; and m is an integer such as 0.)

  揭示了一种表示为公式（1）的新型联苯酰胺衍生物，具有与醛固酮受体的亲和力；还揭示了其药用可接受的盐。（在该公式中，A是由公式（a）表示的任何基团之一；L是—CONH—等；R1是可替代的氨基磺酰基等；R2是氢原子等；R3是氢原子等；R4是氢原子、卤原子、羟基、可替代的氨基基团、可替代的C1-6烷氧基、可替代的4-到7-成员环氨基基团等；R5a、R5b和R5c各自独立地是氢原子等；R6是卤原子、氰基等；R7和R8各自独立地是氢原子等；m是整数，例如0。）
• ALPHA-SUBSTITUTED VINYLTIN COMPOUND
  申请人：Tatsuta Kuniaki

  公开号：US20090023939A1

  公开（公告）日：2009-01-22

  To provide α-substituted vinyltin useful for the search for function-developing substances such as pharmaceuticals/agrichemicals and functional materials and for the construction of a compound library. An α-substituted vinyltin compound represented by the formula (1), a tautomer or salt of the compound or a solvate thereof: R 2 CH═C(R 3 )Sn(R 1 ) 3 (1) wherein R 1 is a C 1-10 alkyl group, a C 2-14 aryl group or the like, R 2 is a C 2-14 aryl group, a C 2-9 heterocyclyl group, a C 3-10 cycloalkyl group or the like, and R 3 is a carbamoyl group, a thiocarbamoyl group, an isocyanate group, an isothiocyanate group, a formylamino group, a thioformylamino group, an isonitrile group, an urea group, a carbamate group or the like.

  提供α-取代的乙烯基锡，用于寻找功能发展物质，如药物/农药和功能材料，以及用于构建化合物库。由下式表示的α-取代的乙烯基锡化合物（1）或其互变异构体或盐或溶剂合物：R2CH═C(R3)Sn(R1)3（1）其中R1是C1-10烷基，C2-14芳基或类似物，R2是C2-14芳基，C2-9杂环基，C3-10环烷基或类似物，R3是氨基甲酰基，硫氨基甲酰基，异氰酸酯基，异硫氰酸酯基，甲酰氨基基，硫代甲酰氨基基，异腈基，脲基，氨基甲酸酯基或类似物。
• FUSED HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS
  申请人：Shigeta Yukihiro

  公开号：US20120209005A1

  公开（公告）日：2012-08-16

  Fused heterocyclic compounds useful for prevention, treatment or improvement of diseases against which activation of the thrombopoietin receptor is effective are provided. A compound represented by the formula (I) (wherein R 1 is an aryl group fused to a saturated ring or the like, A, B, L 1 , R 2 , L 2 , L 3 , Y, L 4 , R 3 and X are defined in the description), a tautomer, prodrug or a pharmaceutically acceptable salt of the compound or a solvate thereof.

  提供了对激活血小板生成素受体有效的疾病的预防、治疗或改善有用的融合杂环化合物。代表式(I)的化合物（其中R1是与饱和环或类似物融合的芳基，A、B、L1、R2、L2、L3、Y、L4、R3和X在描述中有定义），该化合物的互变异构体、前药或药用可接受的盐或其溶剂化物。