2-(3-methylbutyl)-1H-imidazole | 16245-88-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3-methylbutyl)-1H-imidazole
• CAS: 16245-88-8
• 化学式: C₈H₁₄N₂
• mdl: MFCD19224216
• 分子量: 138.213
• InChiKey: JALHQZFIMJNYPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-Ethyl-5-(4-fluorobenzoyl)-1,3-dihydroimidazol-2-one 、 2-(3-methylbutyl)-1H-imidazole 反应 40.0h， 以27%的产率得到4-乙基-1,3-二氢-5-[4-[2-(3-甲基丁基)-1H-咪唑-1-基]苯甲酰基]-2H-咪唑-2-酮
  参考文献：
  名称：

  Cardiotonic agents. 2. (Imidazolyl)aroylimidazolones, highly potent and selective positive inotropic agents

  摘要：

  A series of 4-alkyl-1,3-dihydro-5-[(1H-imidazolyl)benzoyl]-2H-imidazol-2-ones 9 was synthesized and evaluated in vitro for positive inotropic and cyclic AMP phosphodiesterase inhibitory activity. A wide range of inotropic and enzyme-inhibitory potencies was observed, substitution on the imidazolyl moiety being the major determinant of activity. The 4-ethyl-5-[4-(1H-imidazol-1-yl)benzoyl] congener 9g exhibited the highest potency in vitro. Incorporation of a methyl group at the imidazolyl 2-position gave 9h, which was less potent but remarkably selective in vivo for positive inotropic effects over heart rate and hypotensive effects.

  DOI：

  10.1021/jm00391a013
• 作为产物：
  描述：

  1-(diethoxymethyl)-1H-imidazole 、 异戊基碘 以47%的产率得到
  参考文献：
  名称：

  HAGEDORN, A. A., III;ERHARDT, P. W.;LUMMA, W. C., JR.;WOHL, R. A.;CARTOR,+, J. MED. CHEM., 30,(1987) N 8, 1342-1347

  摘要：

  DOI：

文献信息

• [EN] HEPATITIS B ANTIVIRAL AGENTS<br/>[FR] AGENTS ANTIVIRAUX DE L'HÉPATITE B
  申请人：ENANTA PHARM INC

  公开号：WO2017011552A1

  公开（公告）日：2017-01-19

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了化合物的结构式（I），或其药学上可接受的盐、酯或前药：这些化合物抑制由乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒的生命周期功能，并且还可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于治疗患有HBV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HBV感染的方法。
• PROCESS FOR PREPARING SILOXY CARBOXYLATES
  申请人：Gärtner Martin

  公开号：US20120157701A1

  公开（公告）日：2012-06-21

  A process for preparing siloxy carboxylates is characterized by reaction of C 2 -C 10 -monocarboxylic acids with halosiloxanes of the general formula (I), Hal-(SiR 2 —O) x —SiR 3 (I) in which Hal is the same or different and is fluorine, chlorine, bromine or iodine, R is hydrogen, C 1 -C 10 -alkyl or C 6 -C 14 -aryl and x is an integer from 1 to 20, to form hydrogen halide in the presence of an auxiliary base, in which the auxiliary base forms, with the hydrogen halide, a salt which forms two immiscible phases with the siloxy carboxylate or the solution of the siloxy carboxylate in a suitable solvent and is removed by a liquid-liquid separation. The process enables simple and economically viable preparation of siloxy carboxylates.

  一种制备硅氧羧酸酯的方法，其特征在于将C2-C10-单羧酸与一般式(I)的卤代硅氧烷发生反应，其中Hal-(SiR2—O)x—SiR3(I)，其中Hal是相同或不同的氟、氯、溴或碘，R是氢、C1-C10-烷基或C6-C14-芳基，x为1至20的整数，以形成氢卤素在辅助碱的存在下，其中辅助碱与氢卤素形成盐，与硅氧羧酸酯或硅氧羧酸酯在适当溶剂中的溶液形成两个不相溶的相，并通过液-液分离去除。该方法实现了硅氧羧酸酯的简单和经济可行的制备。
• Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders
  申请人：Gregor Vlad E.

  公开号：US20080171769A1

  公开（公告）日：2008-07-17

  Provided are compounds of the formula (I): or a stereoisomer, tautomer, salt, hydrate or prodrug thereof that modulate tyrosine kinase activity, compositions comprising the compounds and methods of their use.

  提供的是化合物的结构式(I)：或其立体异构体、互变异构体、盐、水合物或前药，这些化合物调节酪氨酸激酶活性，包括这些化合物的组合物以及它们的使用方法。
• Benzimidazole derivates: preparation and pharmaceutical applications
  申请人：Chen Dizhong

  公开号：US20070043043A1

  公开（公告）日：2007-02-22

  The present invention relates to hydroxamate compounds which are inhibitors of histone deacetylase. More particularly, the present invention relates to benzimidazole containing compounds and methods for their preparation. These compounds may be useful as medicaments for the treatment of proliferative disorders as well as other diseases involving, relating to or associated with dysregulation of histone deacetylase (HDAC).

  本发明涉及羟肟酸化合物，其为组蛋白去乙酰化酶的抑制剂。更具体地，本发明涉及含苯并咪唑的化合物及其制备方法。这些化合物可能作为药物用于治疗增殖性疾病以及其他涉及组蛋白去乙酰化酶（HDAC）失调或相关的疾病。
• PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS
  申请人：Baker-Glenn Charles

  公开号：US20120157427A1

  公开（公告）日：2012-06-21

  Compounds of the formula I: or pharmaceutically acceptable salts thereof, wherein X, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with LRRK2 receptor, such as Parkinson's disease.

  化合物I的公式为：或其药学上可接受的盐，其中X，R1，R2，R3，R4和R5如本文所定义。还公开了制备该化合物的方法以及使用该化合物治疗与LRRK2受体相关的疾病，如帕金森病的方法。