2-bromo-2-methyl-valeric acid | 101258-64-4

• 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-bromo-2-methyl-valeric acid
• 英文别名: 2-Brom-2-methyl-valeriansaeure；2-Bromo-2-methyl-pentanoic acid；2-bromo-2-methylpentanoic acid
• CAS: 101258-64-4
• 化学式: C₆H₁₁BrO₂
• 分子量: 195.056
• InChiKey: YBARNBUFPMPLHH-UHFFFAOYSA-N

物化性质

• 熔点：
  125.4 °C
• 沸点：
  240.5±13.0 °C(Predicted)
• 密度：
  1.440±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromo-2-methyl-valeric acid 在 sodium hydroxide 、 三乙胺 作用下， 以 丙酮 为溶剂， 反应 16.5h， 生成
  参考文献：
  名称：

  Semisynthetic penicillins

  摘要：

  DOI：

  10.1007/bf00758669
• 作为产物：
  描述：

  2-甲基丁酸 在 溴 、 三氯化磷 作用下， 反应 12.0h， 生成 2-bromo-2-methyl-valeric acid
  参考文献：
  名称：

  2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitors: Enzyme−Ligand Co-Crystal Structure and Demonstration of Pharmacodynamic Effects in C57Bl/6 Mice

  摘要：

  11 beta-Hydroxy steroid dehydrogenase type 1 (11 beta-HSD1) has attracted considerable attention during the past few years as a potential target for the treatment of diseases associated with metabolic syndrome. In our ongoing work on 11-HSD1 inhibitors, a series of new 2-amino-1,3-thiazol-4(5H)-ones were explored. By inserting various cycloalkylamines at the 2-position and alkyl groups or spirocycloalkyl groups at the 5-position of the thiazolone, several potent 11 beta-HSD1 inhibitors were identified. An X-ray cocrystal structure of human 11 beta-HSD1 with compound 6d (K-i = 28 nM) revealed a large lipophilic pocket accessible by substitution off the 2-position of the thiazolone. To increase potency, analogues were prepared with larger lipophilic groups at this position. One of these compounds, the 3-noradamantyl analogue 8b, was a potent inhibitor of human 11 beta-HSD 1 (K-i = 3 nM) and also inhibited 11 beta-HSD1 activity in lean C57BI/6 mice when evaluated in an ex vivo adipose and liver cortisone to cortisol conversion assay.

  DOI：

  10.1021/jm701551j

文献信息

• [EN] CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE LA CÉRAMIDE GALACTOSYLTRANSFÉRASE POUR LE TRAITEMENT DE MALADIES
  申请人：BIOMARIN PHARM INC

  公开号：WO2017214505A1

  公开（公告）日：2017-12-14

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with the enzyme ceramide galactosyltransferase (CGT), such as, for example, lysosomal storage diseases. Examples of lysosomal storage diseases include, for example, Krabbe disease and Metachromatic Leukodystrophy.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物、以及使用这种化合物治疗或预防与酶神经鞘糖脂转移酶（CGT）相关的疾病或紊乱的方法，例如溶酶体贮积症。溶酶体贮积症的例子包括 Krabbe 病和白质变性白血病。
• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE LA TYROSINE KINASE DE BRUTON
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013024078A1

  公开（公告）日：2013-02-21

  This application discloses compounds according to generic Formula I: wherein the variables are defined as described herein, and which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are further useful to treat inflammatory and auto immune diseases associated with aberrant B-cell proliferation, such as rheumatoid arthritis. Also disclosed are compositions containing compounds of Formula I and at least one carrier, diluent or excipient.

  该应用程序根据通用公式I披露化合物：其中变量如本文所述，并且抑制Btk。本文披露的化合物对调节Btk的活性并治疗与过度Btk活性相关的疾病有用。这些化合物进一步用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还披露了含有公式I化合物和至少一种载体、稀释剂或赋形剂的组合物。
• UREA INHIBITORS OF MAP KINASES
  申请人：NGUYEN Duyan

  公开号：US20100041642A1

  公开（公告）日：2010-02-18

  Urea containing compounds that inhibit MAP kinases, pharmaceutical compositions including such compounds and methods for using these compounds to treat inflammatory diseases and cancer are described herein.

  本文描述了含有抑制MAP激酶的尿素类化合物、包括这些化合物的药物组合物以及使用这些化合物治疗炎症性疾病和癌症的方法。
• [EN] PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS<br/>[FR] COMPOSES DE PIPERIDINE PHENYLE A SUBSTITUTION PHENYLE S'UTILISANT COMME ACTIVATEURS DE PPAR
  申请人：PFIZER PROD INC

  公开号：WO2004048334A1

  公开（公告）日：2004-06-10

  PPAR alpha activators, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases, in mammals, including humans.

  PPARα激动剂，含有这类化合物的药物组合物以及利用这类化合物提高特定血浆脂质水平，包括高密度脂蛋白胆固醇，并降低其他特定血浆脂质水平，如低密度脂蛋白胆固醇和甘油三酯，并据此治疗由高密度脂蛋白胆固醇水平低和/或低密度脂蛋白胆固醇和甘油三酯水平高加重的疾病，如动脉粥样硬化和心血管疾病，在哺乳动物，包括人类中的应用。
• Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors
  申请人：——

  公开号：US20040072838A1

  公开（公告）日：2004-04-15

  The present invention provides a compound of formula (1) wherein R 1 -R 5 , R 25 , R 26 , Y and X 2 are defined as in claim 1. The compounds activate human peroxisome proliferator activated receptors (hPPARs) and arc useful for the treatment of associated disorders such as cardiovascular disease and hypercholesteremia. 1

  本发明提供了一种化合物，其化学式为（1），其中R1-R5，R25，R26，Y和X2的定义如权利要求1中所述。这些化合物能激活人类过氧化物酶体增殖物激活受体（hPPARs），并且对于治疗相关疾病如心血管疾病和高胆固醇血症非常有用。