hexa-2,4-dienoic acid amide | 821-00-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: hexa-2,4-dienoic acid amide
• 英文别名: hexa-2,4-dienamide；Hexa-2,4-dienamid；Sorbinsaeureamid；Sorbamid；Hexa-2,4-diensaeure-amid
• CAS: 821-00-1
• 化学式: C₆H₉NO
• 分子量: 111.144
• InChiKey: JPXCVMIARYLSGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  hexa-2,4-dienoic acid amide 在 磷酸酐 作用下， 生成 2,4-己二烯腈
  参考文献：
  名称：

  Doebner; Wolff, Chemische Berichte, 1901, vol. 34, p. 2222

  摘要：

  DOI：
• 作为产物：
  描述：

  hexa-2,4-dienoyl chloride 在 氨 作用下， 生成 hexa-2,4-dienoic acid amide
  参考文献：
  名称：

  Doebner; Wolff, Chemische Berichte, 1901, vol. 34, p. 2222

  摘要：

  DOI：

文献信息

• Additionsreaktionen der nitrosogruppe—IX
  作者：G. Kresze、J. Firl

  DOI：10.1016/0040-4020(68)88054-8

  日期：1968.1

  The orientation in the diene synthesis of 1- and 1,4-disubstituted dienes with nitroso compounds has been determined by several methods. These methods and the properties of the adducts are described in detail.

  已经通过几种方法确定了用亚硝基化合物在1-烯和1，4-二取代二烯的二烯合成中的取向。详细描述了这些方法和加合物的性质。
• Substituted quinazoline derivatives
  申请人：American Cyanamid Company

  公开号：US06251912B1

  公开（公告）日：2001-06-26

  This invention provides compounds of formula 1 having the structure wherein: X, R1, R2, R3, R4, Z, X, and n are as defined hereinbefore in the specification, which are useful as antineoplastic agents and in the treatment of certain kidney diseases, such as polycystic kidney disease.

  本发明提供了具有公式1的化合物，其结构如下：其中X，R1，R2，R3，R4，Z，X和n如本说明书中所定义，这些化合物可用作抗肿瘤剂，并用于治疗某些肾脏疾病，如多囊肾病。
• Linear (−)‐Zampanolide: Flexibility in Conformation–Activity Relationships
  作者：Christian A. Umaña、Jeffrey L. Henry、Claire T. Saltzman、Dan L. Sackett、Lisa M. Jenkins、Richard E. Taylor

  DOI：10.1002/cmdc.202300292

  日期：2023.10.4

  Through an understanding of the conformational preferences of the polyketide natural product (−)‐zampanolide, and the structural motifs that control these preferences, we developed a linear zampanolide analogue that exhibits potent cytotoxicity against cancer cell lines. This discovery provides a set of three structural handles for further structure‐activity relationship (SAR) studies of this potent microtubule‐stabilizing agent. Moreover, it provides additional evidence of the complex relationship between ligand preorganization, conformational flexibility, and biological potency. In contrast to medicinal chemistry dogma, these results demonstrate that increased overall conformational flexibility is not necessarily detrimental to protein binding affinity and biological activity.

  摘要通过了解多酮类天然产物 (-)- 占帕诺尔内酯的构象偏好以及控制这些偏好的结构基团，我们开发出了一种线性占帕诺尔内酯类似物，它对癌细胞株具有很强的细胞毒性。这一发现为进一步研究这种强效微管稳定剂的结构-活性关系（SAR）提供了三组结构把手。此外，它还进一步证明了配体预组织、构象灵活性和生物效力之间的复杂关系。与药物化学教条不同的是，这些结果表明，总体构象灵活性的增加并不一定不利于蛋白质的结合亲和力和生物活性。
• Inhibition of the mammalian .beta.-lactamase renal dipeptidase (dehydropeptidase-I) by Z-2-(acylamino)-3-substituted-propenoic acids
  作者：Donald W. Graham、Wallace T. Ashton、Louis Barash、Jeannette E. Brown、Ronald D. Brown、Laura F. Canning、Anna Chen、James P. Springer、Edward F. Rogers

  DOI：10.1021/jm00389a018

  日期：1987.6

  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.
• Sturtz,G., Bulletin de la Societe Chimique de France, 1964, p. 2349 - 2357
  作者：Sturtz,G.

  DOI：——

  日期：——