ethyl 2,2-dimethyl-5-bromopentanoate | 77858-42-5

• 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: ethyl 2,2-dimethyl-5-bromopentanoate
• 英文别名: ethyl 5-bromo-2,2-dimethyl-pentanoate；5-bromo-2,2-dimethylpentanoic acid ethyl ester；ethyl 5-bromo-2,2-dimethylpentanoate；ethyl 5-bromo-2,2-dimethylvalerate；5-bromo-2,2,dimethylpentanoic acid ethyl ester
• CAS: 77858-42-5
• 化学式: C₉H₁₇BrO₂
• 分子量: 237.137
• InChiKey: WTOZJVIKYIUYOQ-UHFFFAOYSA-N

物化性质

• 沸点：
  65.0-66.5 °C(Press: 0.4 Torr)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 2,2-dimethyl-5-bromopentanoate 在 甲醇 、 锂硼氢 、 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 生成 2H-吡喃,2-[(5-溴-2,2-二甲代戊基)氧代]四氢-
  参考文献：
  名称：

  Long Hydrocarbon Chain Keto Diols and Diacids that Favorably Alter Lipid Disorders in Vivo

  摘要：

  Keto-substituted hydrocarbons with 11 - 19 methylene and bis-terminal hydroxyl and carboxyl groups have been synthesized and evaluated in both in vivo and in vitro assays for their potential to favorably alter lipid disorders including metabolic syndrome. Compounds were assessed for their effects on the de novo incorporation of radiolabeled acetate into lipids in primary cultures of rat hepatocytes as well as for their effects on lipid and glycemic variables in obese female Zucker fatty rats [Crl:(ZUC)-faBRI following 1 and 2 weeks of oral administration. The most active compounds were found to be symmetrical with four to five methylene groups separating the central ketone functionality and the gem dimethyl or methyl/aryl substituents. Furthermore, biological activity was found to be greatest in both in vivo and in vitro assays for the tetramethyl-substituted keto diacids and diols (e.g., 10c, 10g, 14c), and the least active were shown to be the bis(arylmethyl) derivatives (e.g., 10e, 10f, 14f). Compound 14c dose-dependently elevated HDL-cholesterol, reduced triglycerides, and reduced NEFA, with a minimum effective dose of 30 mg/kg/day. Compound 10g dose-dependently modified non-HDL-cholesterol, triglycerides, and nonesterified fatty acids, with a minimum effective dose of 10 mg/kg/day. At this dose, compound 10g elevated HDL-cholesterol levels 2-3 times higher than pretreatment levels, and a dose-dependent reduction of fasting insulin and glucose levels was observed.

  DOI：

  10.1021/jm040006p
• 作为产物：
  描述：

  1,3-二溴丙烷 、 异丁酸乙酯 在 lithium diisopropyl amide 作用下， 生成 ethyl 2,2-dimethyl-5-bromopentanoate
  参考文献：
  名称：

  Synthetic Studies on Condensed-Azole Derivatives. V. Synthesis and Anti-asthmatic Activities of .OMEGA.-Sulfamoylalkyloxy(1,2,4)triazolo(1,5-b)pyridazines.

  摘要：

  一系列新型[1, 2, 4]三唑并[1, 5-b]吡哒嗪-6-基氧烷基磺酰胺被合成并评估了其抑制血小板活化因子（PAF）诱导的豚鼠支气管收缩的能力。在侧链中，在磺酰氨基丙氧基的2位带有双烷基或环烷基亚基团以及在7位带有甲基的化合物显示出强效活性。其中，2, 2-二乙基-3-(7-甲基[1, 2, 4]三唑并[1, 5-b]吡哒嗪-6-基)氧丙烷磺酰胺（13）表现出优异的抗哮喘活性。化合物13可能在治疗哮喘和其他呼吸系统疾病方面具有重要价值。讨论了该系列化合物的构效关系。

  DOI：

  10.1248/cpb.45.1447

文献信息

• DERIVATIVES OF RELEBACTAM AND USES THEREOF
  申请人：ARIXA PHARMACEUTICALS, INC.

  公开号：US20200102307A1

  公开（公告）日：2020-04-02

  Derivatives of relebactam, therapeutic methods of using the derivatives of relebactam, particularly in combination with β-lactam antibiotics and pharmaceutical compositions thereof are disclosed. The derivatives of relebactam are suitable for oral administration.

  Relebactam的衍生物、使用Relebactam的衍生物的治疗方法，特别是与β-内酰胺类抗生素结合使用以及其制药组合物已被披露。Relebactam的衍生物适合口服给药。
• Beta-lactamase inhibitors and uses thereof
  申请人：ARIXA PHARMACEUTICALS, INC.

  公开号：US10085999B1

  公开（公告）日：2018-10-02

  β-Lactamase inhibiting compounds, therapeutic methods of using the β-lactamase inhibiting compounds, particularly in combination with β-lactam antibiotics and pharmaceutical compositions thereof are disclosed. The β-lactamase inhibiting compounds are suitable for oral administration.

  β-内酰胺酶抑制化合物，使用β-内酰胺酶抑制化合物的治疗方法，特别是与β-内酰胺类抗生素结合以及其制药组合物被披露。这些β-内酰胺酶抑制化合物适合口服给药。
• [EN] SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES<br/>[FR] COMPOSES SULFURES ET DISULFURES ET COMPOSITIONS POUR LE CONTROLE DE CHOLESTEROL ET UTILISATIONS ASSOCIEES
  申请人：ESPERION THERAPEUTICS INC

  公开号：WO2005068418A1

  公开（公告）日：2005-07-28

  The invention encompasses novel sulfide and disulfide compounds, compositions comprising sulfide and disulfide compounds, and methods useful for treating and preventing cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising an ether compound. The compounds, compositions, and methods of the invention are also useful for treating and preventing Alzheimer's Disease, Syndrome X, peroxisome proliferator activated receptor-related disorders, septicemia, thrombotic disorders, obesity, pancreatitis, hypertension, renal disease, cancer, inflammation, and impotence. 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.

  该发明涵盖了新型硫化物和二硫化物化合物，包括硫化物和二硫化物化合物的组合物，以及用于治疗和预防心血管疾病、血脂异常、蛋白异常和葡萄糖代谢紊乱的方法，包括给予含有醚化合物的组合物。该发明的化合物、组合物和方法还可用于治疗和预防阿尔茨海默病、X综合征、过氧化物酶体增殖激活受体相关疾病、败血症、血栓性疾病、肥胖、胰腺炎、高血压、肾脏疾病、癌症、炎症和阳痿。在某些实施例中，该发明的化合物、组合物和方法可与其他治疗药物联合治疗，如降胆固醇和降血糖药物。
• [EN] SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF<br/>[FR] PIPÉRIDINES SUBSTITUÉES QUI ACCROISSENT L'ACTIVITÉ DE P53, ET UTILISATIONS DE CES COMPOSÉS
  申请人：SCHERING CORP

  公开号：WO2011046771A1

  公开（公告）日：2011-04-21

  The present invention provides a compound of Formula (1) as described herein or a pharmaceutically acceptable salt, solvate or ester thereof. The compounds are useful as inhibitors of the HDM2 protein. Also disclosed are pharmaceutical compositions comprising the above compounds and methods of treating cancer using the same.

  本发明提供了如下所述的化合物的化学式（1）或其药学上可接受的盐、溶剂合物或酯。这些化合物可用作HDM2蛋白的抑制剂。还公开了包含上述化合物的药物组合物以及使用它们治疗癌症的方法。
• [EN] PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES<br/>[FR] ANTAGONISTES DE RECEPTEUR DE LA PROSTAGLANDINE D2 POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：MILLENNIUM PHARM INC

  公开号：WO2005100321A1

  公开（公告）日：2005-10-27

  Disclosed herein are compounds represented by Structural Formula: (I) and (I-A). Also disclosed is the use of such compounds for inhibiting the G-protein coupled receptor referred to as chemoattractant receptor-homologous molecule expressed on Th2, or simply 'CRTH2' for the treatment of inflammatory disorders. The variables in Structural Formula (I) and (I-A) are defined herein.

  本文披露了由结构式(I)和(I-A)表示的化合物。还披露了利用这些化合物抑制称为趋化剂受体同源分子表达在Th2上的G蛋白偶联受体，简称为'CRTH2'，用于治疗炎症性疾病。结构式(I)和(I-A)中的变量在此处被定义。