(5-苯基-1H-咪唑-2-基)甲胺 | 175531-38-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: (5-苯基-1H-咪唑-2-基)甲胺
• 英文名称: (4-phenyl-1H-imidazol-2-yl)methanamine
• 英文别名: (5-phenyl-1H-imidazol-2-yl)methanamine
• CAS: 175531-38-1
• 化学式: C₁₀H₁₁N₃
• mdl: MFCD06738991
• 分子量: 173.217
• InChiKey: HRELUUJYACRYGH-UHFFFAOYSA-N

物化性质

• 熔点：
  121-123 °C
• 沸点：
  436.8±28.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  (5-苯基-1H-咪唑-2-基)甲胺 在 苯酚 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 生成 7-chloro-N-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
  参考文献：
  名称：

  Synthesis and antiplasmodial activity of new heteroaryl derivatives of 7-chloro-4-aminoquinoline

  摘要：

  With the aim to investigate the effect of different heterocyclic rings linked to the 4-aminoquinoline nucleus on the antimalarial activity, a set of 7-chloro-N-(heteroaryl)-methyl-4-aminoquinoline and 7-chloro-N-(heteroaryl)-4-aminoquinoline was synthesized and tested in vitro against D-10 (CQ-S) and W-2 (CQ-R) strains of Plasmodium falciparum. All compounds exhibited from moderate to high antiplasmodial activities. The activity was strongly influenced both by the presence of a methylenic group, as a spacer between the 4-aminoquinoline and the heterocyclic ring, and by the presence of a basic head. The most potent molecules inhibited the growth of both CQ-S and CQ-R strains of P. falciparum with IC50 < 30 nM and were not toxic against human endothelial cells. These results confirm that the presence of an heteroaryl moiety in the side chain of 7-chloro-4-aminoquinoline is useful for the design and development of new powerful antimalarial agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.07.040
• 作为产物：
  描述：

  2-氨基苯乙酮盐酸盐 在 N-甲基吗啉 、 palladium 10% on activated carbon 、 ammonium acetate 、 氢气 、 1-羟基苯并三唑 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 7.0h， 生成 (5-苯基-1H-咪唑-2-基)甲胺
  参考文献：
  名称：

  Identification of a dual δ OR antagonist/μ OR agonist as a potential therapeutic for diarrhea-predominant Irritable Bowel Syndrome (IBS-d)

  摘要：

  A small set of acyclic analogs 5 were prepared to explore their structure-activity relationships (SARs) relative to heterocyclic core, opioid receptor (OR) agonists 4. Compound 5l was found to have very favorable OR binding affinities at the δ and μ ORs (r K(i) δ=1.3 nM; r K(i) μ=0.9 nM; h K(i) μ=1.7 nM), with less affinity for the κ OR (gp K(i) κ=55 nM). The OR functional profile for 5l varied from the previously described dual δ/μ OR agonists 4, with 5l being a potent, mixed dual δ OR antagonist/μ OR agonist [δ IC(50)=89 nM (HVD); μ EC(50)=1 nM (GPI); κ EC(50)=1.6 μM (GPC)]. Compound 5l has progressed through a clinical Phase II Proof of Concept study on 800 patients suffering from diarrhea-predominant Irritable Bowel Syndrome (IBS-d). This Phase II study was recently completed successfully, with 5l demonstrating statistically significant efficacy over placebo.

  DOI：

  10.1016/j.bmcl.2012.05.042

文献信息

• [EN] NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS<br/>[FR] NOUVEAUX AGONISTES DE RÉCEPTEURS ADRÉNERGIQUES BÊTA 3 DÉRIVÉS DE PYRROLIDINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2011025774A1

  公开（公告）日：2011-03-03

  The present invention provides compounds of Formula (I), pharmaceutical compositions thereof, and method of using the same in the treatment or prevention of diseases mediated by the activation of β3-adrenoceptor.

  本发明提供了式(I)的化合物，其药物组成物以及使用该化合物在治疗或预防由β3-肾上腺素受体激活介导的疾病的方法。
• [EN] 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS<br/>[FR] AMIDES D'ACIDE 4-(5-ISOXAZOLYL OU 5-PYRAZOLYL-1,2,4-OXADIAZOL-3-YL)-MANDÉLIQUE COMME AGONISTES DU RÉCEPTEUR DE LA SPHINGOSINE-1-PHOSPHATE DE TYPE 1
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011133734A1

  公开（公告）日：2011-10-27

  Disclosed are compounds of Formula (I) or stereoisomers, salts, or prodrugs thereof, wherein: Q is, or R1 is phenyl substituted with zero to 3 substituents; and R1, R2, R3, R4, R5, and G are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  揭示了Formula (I)的化合物或其立体异构体、盐或前药，其中：Q是，或者R1是苯基，其上取代基为零至3个；而R1、R2、R3、R4、R5和G在此处有定义。还揭示了将这些化合物用作G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或紊乱方面具有用处，如自身免疫疾病和血管疾病。
• [EN] PYRAZOLOTRIAZINES<br/>[FR] PYRAZOLOTRIAZINES
  申请人：BAYER AG

  公开号：WO2021116178A1

  公开（公告）日：2021-06-17

  The present invention provides compounds of general formula (I), in which X, R1, R2 and R3 are as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of hyperproliferative disorders such as cancer disorders, as a sole agent or in combination with other active ingredients.

  本发明提供了具有通用公式（I）的化合物，其中X，R1，R2和R3如本文所述和定义，制备所述化合物的方法，用于制备所述化合物的有用中间化合物，包含所述化合物的药物组合物和组合，以及使用所述化合物用于制造用于治疗和/或预防疾病的药物组合物，特别是作为单一剂或与其他活性成分结合使用的过度增殖障碍，如癌症疾病。
• [EN] NOVEL SUBSTITUTED AMIDES OF TRITERPENE DERIVATIVES AS HIV INHIBITORS<br/>[FR] NOUVEAUX AMIDES SUBSTITUÉS DE DÉRIVÉS DE TRITERPÈNE UTILISÉS COMME INHIBITEURS DU VIH
  申请人：HETERO RESEARCH FOUNDATION

  公开号：WO2017021922A1

  公开（公告）日：2017-02-09

  The present invention relates to compounds of novel substituted amides of triteripene derivatives of formula (I); or pharmaceutically acceptable salts, pharmaceutically acceptable solvates, pharmaceutically acceptable hydrates, tautomers, stereoisomers, prodrugs, compositions or combination thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, X, Y, Z1, Z2, Z3 and formula (II) are as defined herein. The present invention also relates to,, and pharmaceutical compositions comprising compounds of formula (I) useful for the treatment of viral diseases and particularly HIV mediated diseases.

  本发明涉及一种新型取代酰胺衍生物化合物，其为式（I）的三萜衍生物；或药学上可接受的盐、药学上可接受的溶剂化合物、药学上可接受的水合物、互变异构体、立体异构体、前药、组合物或它们的组合，其中R1、R2、R3、R4、R5、R6、R7、R8、X、Y、Z1、Z2、Z3和式（II）如本文所定义。本发明还涉及，以及包含式（I）化合物的制药组合物，用于治疗病毒性疾病，特别是HIV介导的疾病。
• Derivatives of heterocycles with 5 members, their preparation and their use as medicaments
  申请人：——

  公开号：US20040132788A1

  公开（公告）日：2004-07-08

  The invention relates to thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives of general formula (I) 1 wherein Het is thiazole, oxazole, imidazole, isoxazole or isoxazoline, n is an integer from 0 to 6, A is notably selected from various optionally substituted aromatic radicals, B is notably hydrogen, alkyl or phenyl, R 1 and R 2 are notably independently hydrogen, alkyl or cycloalkyl and &OHgr; is —NR 46 R 47 or —OR 48 R 46 and R 47 are notably independently hydrogen, alkyl, cycloalkyl or —(CH 2 ) k —COOR 51 , R 51 is notably alkyl or haloalkyl and R 48 is notably hydrogen or alkyl. These compounds have advantageous pharmacological properties which allow their use in therapeutics, notably for treating neurodegenerative disorders or pain.

  本发明涉及噻唑、噁唑、咪唑、异噁唑和异噁唑啉的一般式(I)衍生物，其中Het为噻唑、噁唑、咪唑、异噁唑或异噁唑啉，n为0至6的整数，A特别选自各种可任选取代的芳香族基团，B特别为氢、烷基或苯基，R1和R2特别独立地为氢、烷基或环烷基，Ω为—NR46R47或—OR48，R46和R47特别独立地为氢、烷基、环烷基或—(CH2)k—COOR51，R51特别为烷基或卤代烷基，R48特别为氢或烷基。这些化合物具有有利的药理学特性，使其可用于治疗学，特别是用于治疗神经退行性疾病或疼痛。