methyl-4 (phenyl-2 ethyl)-2 pyridine | 75835-01-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl-4 (phenyl-2 ethyl)-2 pyridine
• 英文别名: 2-(2-ethylphenyl)-4-methylpyridine；4-methyl-2-phenethyl-pyridine；4-methyl-2-phenethylpyridine；4-Methyl-2-phenaethyl-pyridin；4-methyl-2-(2-phenylethyl)pyridine
• CAS: 75835-01-7
• 化学式: C₁₄H₁₅N
• 分子量: 197.28
• InChiKey: WXEJKPRRTYLMLN-UHFFFAOYSA-N

物化性质

• 沸点：
  289.8±9.0 °C(Predicted)
• 密度：
  1.025±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  methyl-4 (phenyl-2 ethyl)-2 pyridine 在 sodium tetrahydroborate 、 sodium hydroxide 作用下， 以 甲醇 、 水 、 乙腈 为溶剂， 反应 49.0h， 生成 1,4-dimethyl-2,3,4,5,6,7-hexahydro-1,5-methano-1H-4-benzazonin-9-ol
  参考文献：
  名称：

  Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use

  摘要：

  本发明涉及由式（I）定义的化合物，其中A、B、X、m、n和o基团的定义如权利要求1中所述，具有有价值的药理活性。特别是这些化合物是11β-羟基类固醇脱氢酶（HSD）1的抑制剂，因此适用于治疗和预防可以受到该酶抑制影响的疾病，如代谢性疾病，特别是2型糖尿病、肥胖症和血脂异常。

  公开号：

  US20110269791A1
• 作为产物：
  描述：

  2,4-二甲基吡啶 在 亚磷酸三苯酯 、 甲醇 、 正丁基锂 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 25.0h， 生成 methyl-4 (phenyl-2 ethyl)-2 pyridine
  参考文献：
  名称：

  Ruthenium-Catalyzed Conversion of sp³ C–O Bonds in Ethers to C–C Bonds Using Triarylboroxines

  摘要：

  Catalytic conversion of unreactive sp(3) C-O bonds in alkyl ethers to C-C bonds is described. Alkyl ethers bearing 2- or 4-pyridyl groups were coupled with triarylboroxines in the presence of a ruthenium catalyst. Triarylboroxines bearing a variety of functional groups including electron-withdrawing and -donating groups can be used for the reaction. No additional base was required for the coupling with the organoboron reagents, and base-sensitive groups can be tolerated. The reaction is considered to proceed via dehydroalkoxylation followed by addition of triarylboroxines to form C-C bonds.

  DOI：

  10.1021/ol2012007

文献信息

• Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use
  申请人：Peters Stefan

  公开号：US20110269791A1

  公开（公告）日：2011-11-03

  The present invention relates to compounds defined by Formula (I), wherein the groups A, B, X, m, n and o are defined as in claim 1, possessing valuable pharmacological activity. Particularly the compounds are inhibitors of 11β-hydroxysteroid dehydrogenase (HSD) 1 and thus are suitable for treatment and prevention of diseases which can be influenced by inhibition of this enzyme, such as metabolic diseases, in particular diabetes type 2, obesity and dyslipidemia.

  本发明涉及由式（I）定义的化合物，其中A、B、X、m、n和o基团的定义如权利要求1中所述，具有有价值的药理活性。特别是这些化合物是11β-羟基类固醇脱氢酶（HSD）1的抑制剂，因此适用于治疗和预防可以受到该酶抑制影响的疾病，如代谢性疾病，特别是2型糖尿病、肥胖症和血脂异常。
• Solvent-free alkylation of N-heteroaromatic compounds by RCOOH—Pb(OAc)4 system
  作者：G. I. Nikishin、L. L. Sokova、V. M. Makhaev、N. I. Kapustina

  DOI：10.1007/s11172-005-0347-8

  日期：2005.4

  The solvent-free decarboxylation of carboxylic acids by Pb(OAc)4 affords alkyl radicals, which alkylate 4-methylpyridine, quinoline, and 4-methylquinoline protonated with 2-chlorobenzoic acid. Mechanical activation is required for pyrazine alkylation.

  Pb(OAc)4 对羧酸的无溶剂脱羧产生烷基自由基，烷基化 4-甲基吡啶、喹啉和用 2-氯苯甲酸质子化的 4-甲基喹啉。吡嗪烷基化需要机械活化。
• Aryl-and Heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use
  申请人：Himmelsbach Frank

  公开号：US20110190262A1

  公开（公告）日：2011-08-04

  The present invention relates to compounds defined by formula I wherein the groups R 1 to R 3 , X, m, n and o are defined as in claim 1 , possessing valuable pharmacological activity. Particularly the compounds are inhibitors of 11β-hydroxysteroid dehydrogenase (HSD) 1 and thus are suitable for treatment and prevention of diseases which can be influenced by inhibition of this enzyme, such as metabolic diseases, in particular diabetes type 2, obesity and dyslipidemia.

  本发明涉及公式I所定义的化合物，其中R1至R3、X、m、n和o的定义如权利要求书中所述，具有有价值的药理活性。特别地，这些化合物是11β-羟基类固醇脱氢酶（HSD）1的抑制剂，因此适用于治疗和预防可以通过抑制该酶而受影响的疾病，如代谢性疾病，特别是2型糖尿病、肥胖症和血脂异常。
• Aryl- and heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use
  申请人：Himmelsbach Frank

  公开号：US08859580B2

  公开（公告）日：2014-10-14

  The present invention relates to compounds defined by formula I wherein the groups R1 to R3, X, m, n and o are defined as in claim 1, possessing valuable pharmacological activity. Particularly the compounds are inhibitors of 11β-hydroxysteroid dehydrogenase (HSD) 1 and thus are suitable for treatment and prevention of diseases which can be influenced by inhibition of this enzyme, such as metabolic diseases, in particular diabetes type 2, obesity and dyslipidemia.

  本发明涉及公式I定义的化合物，其中R1至R3、X、m、n和o组的定义如权利要求书中所述，具有有价值的药理活性。特别地，这些化合物是11β-羟基类固醇脱氢酶（HSD）1的抑制剂，因此适用于治疗和预防可以受到该酶抑制影响的疾病，例如代谢性疾病，特别是2型糖尿病、肥胖症和血脂异常。
• SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF
  申请人：THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：US20150045357A1

  公开（公告）日：2015-02-12

  This invention is in the field of medicinal chemistry. In particular, the invention relates to a new class of small-molecules having a [(1-Piperazinyl)-4-pyridinylmethyl]-Naphtho[1,2-b]furan structure which function as inhibitors of Mcl-1 protein, and their use as therapeutics for the treatment of cancer and other diseases.

  这项发明属于药物化学领域。具体而言，该发明涉及一类新型小分子，具有[(1-哌嗪基)-4-吡啶甲基]-萘[1,2-b]呋喃结构，能够作为Mcl-1蛋白质的抑制剂，并且它们被用作治疗癌症和其他疾病的治疗药物。