1H-咪唑,4-乙基-2-苯基- | 10045-56-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1H-咪唑,4-乙基-2-苯基-
• 英文名称: 4-Ethyl-2-phenyl-imidazol
• 英文别名: 5-ethyl-2-phenyl-1H-imidazole
• CAS: 10045-56-4
• 化学式: C₁₁H₁₂N₂
• mdl: MFCD00234750
• 分子量: 172.23
• InChiKey: BQUSIXSOCHTUCV-UHFFFAOYSA-N

物化性质

• 沸点：
  359.2±11.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  1H-咪唑,4-乙基-2-苯基- 在 4-二甲氨基吡啶 、 [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II) 、 (R,R)-(S,S)-PhTRAP 、 氢气 、 三乙胺 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 80.0 ℃ 、5.07 MPa 条件下， 反应 25.0h， 生成 (-)-1-(tert-butoxycarbonyl)-4-ethyl-2-phenylimidazoline
  参考文献：
  名称：

  Catalytic Asymmetric Hydrogenation of N-Boc-Imidazoles and Oxazoles

  摘要：

  Substituted imidazoles and oxazoles were respectively hydrogenated into the corresponding chiral imidazolines and oxazolines (up to 99% ee). The highly enantioselective hydrogenation was achieved by using the chiral ruthenium catalyst, which is generated from Ru(eta(3)-methallyl)(2)(cod) and a trans-chelating chiral bisphosphine ligand, PhTRAP. This is the first successful catalytic asymmetric reduction of 5-membered aromatic rings containing two or more heteroatoms.

  DOI：

  10.1021/ja201543h
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 sodium amalgam 作用下， 生成 1H-咪唑,4-乙基-2-苯基-
  参考文献：
  名称：

  848.酰亚胺与α-氨基缩醛和α-氨基醛的反应

  摘要：

  DOI：

  10.1039/jr9570004225

文献信息

• [EN] BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS<br/>[FR] COMPOSÉS BICYCLIQUES SUBSTITUÉS PAR HÉTÉROARYLE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018013774A1

  公开（公告）日：2018-01-18

  Disclosed are compounds of Formula (I) to (VIII): (I) (II) (III) (IV) (V) (VI) (VII) (VIII); or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate or prodrug thereof, wherein R3 is a bicyclic heteroaryl group substituted with zero to 3 R3a; and R1, R2, R3a, R4, and n are defined herein. Also disclosed are methods of using such compounds as PAR4 inhibitors, and pharmaceutical compositions comprising such compounds. These compounds are useful in inhibiting or preventing platelet aggregation, and are useful for the treatment of a thromboembolic disorder or the primary prophylaxis of a thromboembolic disorder.

  公开了公式(I)至(VIII)的化合物：(I) (II) (III) (IV) (V) (VI) (VII) (VIII)；或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中R3是与0至3个R3a取代的双环杂芳基团；且R1、R2、R3a、R4和n在此定义。还公开了使用这些化合物作为PAR4抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物用于抑制或预防血小板聚集，用于治疗血栓栓塞障碍或作为血栓栓塞障碍的初级预防。
• PATTERNED FINE PARTICLE FILM STRUCTURES
  申请人：Ogawa Kazufumi

  公开号：US20100143665A1

  公开（公告）日：2010-06-10

  A patterned fine particle film structure includes a fine particle layer including fine particles arranged and bound to a surface of a substrate coated with a patterned film including a first film compound having a first functional group. The fine particles are coated with films including a first coupling agent having a first coupling reactive group that undergoes a coupling reaction with the first functional group to form a bond. The fine particle layer is bound by a bond formed through a coupling reaction. In an embodiment, fine particles coated with films of a film compound that reacts with the first coupling reactive group and the fine particles are alternately bound to the substrate.

  一种图案化的细颗粒薄膜结构包括一个细颗粒层，其中包括排列并粘结在涂有包括第一功能基团的第一薄膜化合物的基底表面上的细颗粒。这些细颗粒被覆盖有包括第一偶联试剂的薄膜，该薄膜具有第一偶联反应基团，该基团与第一功能基团发生偶联反应形成化学键。细颗粒层通过偶联反应形成的键粘结在一起。在一种实施方式中，被涂覆有与第一偶联反应基团发生反应的薄膜化合物的细颗粒交替地粘结到基底上。
• FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS
  申请人：Hangeland Jon J.

  公开号：US20090036438A1

  公开（公告）日：2009-02-05

  The present invention provides a method for treating a thrombotic or an inflammatory disorder administering to a patient in need thereof a therapeutically effective amount of at least one compound of Formula (I) or Formula (V): or a stereoisomer or pharmaceutically acceptable salt or solvate form thereof, wherein the variables A, L, Z, R 3 , R 4 , R 6 , R 11 , X 1 , X 2 , and X 3 are as defined herein. The compounds of Formula (I) are useful as selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors. This invention also provides compounds within the scope of Formula I and relates to pharmaceutical compositions comprising these compounds.

  本发明提供了一种治疗血栓性或炎症性疾病的方法，该方法向需要治疗的患者施用至少一种公式（I）或公式（V）中的化合物的治疗有效量：或其立体异构体或药学上可接受的盐或溶剂形式，其中变量A、L、Z、R3、R4、R6、R11、X1、X2和X3如本文所定义。公式（I）的化合物可用作凝血级联和/或接触激活系统的丝氨酸蛋白酶酶的选择性抑制剂；例如凝血酶、因子Xa、因子XIa、因子IXa、因子VIIa和/或血浆激肽。特别是，涉及到选择性因子XIa抑制剂的化合物。本发明还提供了公式I范围内的化合物，并涉及包含这些化合物的制药组合物。
• Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain
  申请人：Cid-Nunez Jose Maria

  公开号：US20080262076A1

  公开（公告）日：2008-10-23

  This invention concerns novel substituted tetracyclic tetrahydrofuran derivatives containing a cyclic amine side chain with binding affinities towards dopamine receptors, in particular dopamine D 2 receptors, towards serotonin receptors, in particular 5-HT 2A and 5-HT 2C receptors, and pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also a pharmaceutically acceptable acid or base addition salt thereof, an N-oxide form thereof or a quaternary ammonium salt thereof, wherein all substituents are defined as in Claim 1.

  本发明涉及一种新型取代四环四氢呋喃衍生物，其含有一个环状胺侧链，具有结合多巴胺受体的亲和力，特别是多巴胺D2受体，对5-HT2A和5-HT2C受体的亲和力，以及包含根据本发明的化合物的制药组合物，其用作药物，特别是用于预防和/或治疗一系列精神和神经疾病，特别是某些精神病、心血管和胃动力紊乱，并提供其生产过程。根据本发明的化合物可以用一般式（I）表示，并包括其药学上可接受的酸或碱盐、N-氧化物形式或季铵盐，其中所有取代基在权利要求书1中定义。
• Imine Compound
  申请人：Saito Shiuji

  公开号：US20080312435A1

  公开（公告）日：2008-12-18

  An imine compound represented by the formula: wherein A represents a heterocyclic group; R 1 , R 2 , an R 3 each represent a hydrogen atom, a halogen atom, a C 1-10 alkyl group optionally substituted with an aryl group(s) substituted with a halogen atom(s), a C 3-10 cycloalkyl group, a C 1-6 haloalkyl group, a C 1-10 alkoxy group, etc.; R 4 represents an optionally substituted C 1-10 alkyl, C 2-6 alkenyl, or aryl group; R 5 represents a hydrogen atom, a C 1-10 alkoxy group, a C 1-6 haloalkyl group, an optionally substituted C 1-10 alkyl or C 2-6 alkenyl group, an optionally substituted aryl or heterocyclic group, etc.; W represents —CO—, —CO—CO—, —CO—NH—, —CS—NH—, or —SO 2 —, or a cannabinoid-receptor agonist comprising said imine compound as an active ingredient. The imine compound of the present invention has a cannabinoid-receptor agonist effect, and is useful as a therapeutic or prophylactic drug for pains and autoimmune diseases.

  一种以以下式表示的亚胺化合物：其中A代表杂环基团；R1、R2和R3分别表示氢原子、卤素原子、C1-10烷基，该烷基可选地取代有芳基，所述芳基取代有卤素原子，C3-10环烷基，C1-6卤代烷基，C1-10烷氧基等；R4表示可选地取代的C1-10烷基，C2-6烯基或芳基；R5表示氢原子，C1-10烷氧基，C1-6卤代烷基，可选地取代的C1-10烷基或C2-6烯基，可选地取代的芳基或杂环基团等；W表示—CO—，—CO—CO—，—CO—NH—，—CS—NH—或—SO2—，或以该亚胺化合物为活性成分的大麻素受体激动剂。本发明的亚胺化合物具有大麻素受体激动剂作用，可用作治疗或预防疼痛和自身免疫性疾病的药物。