2-oxo-tridecanoic acid | 66647-48-1

• 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: 2-oxo-tridecanoic acid
• 英文别名: 2-Oxo-tridecansaeure；α-Oxo-11-tridecansaeure；2-Keto tridecanoic acid；2-oxotridecanoic acid
• CAS: 66647-48-1
• 化学式: C₁₃H₂₄O₃
• 分子量: 228.332
• InChiKey: ICUSPHFFJKGZCW-UHFFFAOYSA-N

物化性质

• 熔点：
  62-62.5 °C
• 沸点：
  158 °C(Press: 1.5 Torr)
• 密度：
  0.972±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-oxo-tridecanoic acid 在 盐酸 、 zinc/copper couple 、 乙酸乙酯 、 苯 作用下， 生成 2-hydroxy-2-undecyl-succinic acid diethyl ester
  参考文献：
  名称：

  Asano; Tamemasa, Yakugaku Zasshi, 1943, vol. 63, p. 375

  摘要：

  DOI：
• 作为产物：
  描述：

  lauroyl cyanide 在 氢氧化钾 作用下， 生成 2-oxo-tridecanoic acid
  参考文献：
  名称：

  Maekawa, 1954, vol. 6, p. 271,273

  摘要：

  DOI：

文献信息

• [EN] HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES<br/>[FR] COMPOSES HYDROXYLES ET COMPOSITIONS DE REGULATION DU CHOLESTEROL ET UTILISATIONS ASSOCIEES
  申请人：ESPERION THERAPEUTICS INC

  公开号：WO2004067489A2

  公开（公告）日：2004-08-12

  The present invention relates to novel hydroxyl compounds, compositions comprising hydroxyl compounds, and methods useful for treating and preventing a variety of diseases and conditions such as, but not limited to aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, hypertension, impotence, inflammation, insulin resistance, lipid elimination in bile, obesity, oxysterol elimination in bile, pancreatitis, pancreatitius, Parkinson's disease, a peroxisome proliferator activated receptor-associated disorder, phospholipid elimination in bile, renal disease, septicemia, metabolic syndrome disorders (e.g., Syndrome X), thrombotic disorder. Compounds and methods of the invention can also be used to modulate C reactive protein or enhance bile production in a patient. In certain embodiments, the compounds, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.

  本发明涉及新型羟基化合物、包含羟基化合物的组合物和用于治疗和预防各种疾病和病症的方法，例如但不限于老化、阿尔茨海默病、癌症、心血管疾病、糖尿病肾病、糖尿病视网膜病变、葡萄糖代谢紊乱、脂质代谢紊乱、高血压、阳痿、炎症、胰岛素抵抗、胆汁中脂质消除、肥胖症、胆汁中氧化固醇消除、胰腺炎、帕金森病、过氧化物酶体增殖物激活受体相关疾病、胆汁中磷脂消除、肾脏疾病、败血症、代谢综合征（例如综合征X）、血栓性疾病。本发明的化合物和方法还可用于调节C反应蛋白或增强患者的胆汁产生。在某些实施例中，本发明的化合物、组合物和方法可与其他治疗药物（如降胆固醇和降血糖药物）联合使用。
• Methods and materials for biosynthesizing multifunctional, multivariate molecules via carbon chain modification
  申请人：INVISTA NORTH AMERICA S.A.R.L.

  公开号：US10801046B2

  公开（公告）日：2020-10-13

  This document describes biochemical pathways for producing a difunctional product having an odd number of carbon atoms in vitro or in a recombinant host, or salts or derivatives thereof, by forming two terminal functional groups selected from carboxyl, amine, formyl, and hydroxyl groups in an aliphatic carbon chain backbone having an odd number of carbon atoms synthesized from (i) acetyl-CoA and propanedioyl-CoA via one or more cycles of methyl ester shielded carbon chain elongation or (ii) propanedioyl-[acp] via one or more cycles of methyl ester shielded carbon chain elongation. The biochemical pathways and metabolic engineering and cultivation strategies described herein rely on enzymes or homologs accepting methyl ester shielded aliphatic carbon chain backbones and maintaining the methyl ester shield for at least one further enzymatic step following one or more cycles of methyl ester shielded carbon chain elongation.

  本文件描述了在体外或重组宿主中生产具有奇数个碳原子的双官能团产物或其盐或衍生物的生化途径，其方法是在具有奇数个碳原子的脂肪族碳链骨架上形成两个末端官能团，这两个末端官能团选自羧基、胺、甲酰基和羟基、(i) 乙酰-CoA 和丙二酰-CoA 通过一次或多次循环的甲酯屏蔽碳链伸长或 (ii) 丙二酰-[acp]通过一次或多次循环的甲酯屏蔽碳链伸长合成的具有奇数个碳原子的脂肪族碳链骨架中的两个末端官能团。本文所述的生化途径和代谢工程及培养策略依赖于酶或同源物接受甲酯屏蔽的脂肪族碳链骨架，并在一个或多个甲酯屏蔽碳链伸长循环后维持甲酯屏蔽至少一个进一步的酶步骤。
• 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.
• Adickes; Andresen, Justus Liebigs Annalen der Chemie, 1944, vol. 555, p. 41,49
  作者：Adickes、Andresen

  DOI：——

  日期：——
• Asano, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1958, vol. 78, p. 729,732
  作者：Asano

  DOI：——

  日期：——