[3-(1,3-噻唑-2-基)苯基]甲胺 | 672324-88-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [3-(1,3-噻唑-2-基)苯基]甲胺
• 英文名称: N-(3-(thiazol-2-yl)phenyl)methanamine
• 英文别名: (3-(thiazol-2-yl)phenyl)methanamine；[3-(1,3-Thiazol-2-yl)phenyl]methylamine；[3-(1,3-thiazol-2-yl)phenyl]methanamine
• CAS: 672324-88-8
• 化学式: C₁₀H₁₀N₂S
• mdl: MFCD08741424
• 分子量: 190.269
• InChiKey: UGCRMJJXRCJZHJ-UHFFFAOYSA-N

物化性质

• 沸点：
  124 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 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：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  [3-(1,3-噻唑-2-基)苯基]甲胺 在 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 18.17h， 生成 1-(1-methylethyl)-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
  参考文献：
  名称：

  Maximizing Diversity from a Kinase Screen: Identification of Novel and Selective pan-Trk Inhibitors for Chronic Pain

  摘要：

  We have identified several series of small molecule inhibitors of TrkA with unique binding modes. The starting leads were chosen to maximize the structural and binding mode diversity derived from a high throughput screen of our internal compound collection. These leads were optimized for potency and selectivity employing a structure based drug design approach adhering to the principles of ligand efficiency to maximize binding affinity without overly relying on lipophilic interactions. This endeavor resulted in the identification of several small molecule pan-Trk inhibitor series that exhibit high selectivity for TrkA/B/C versus a diverse panel of kinases. We have also demonstrated efficacy in both inflammatory and neuropathic pain models upon oral dosing. Herein we describe the identification process, hit-to-lead progression, and binding profiles of these selective pan-Trk kinase inhibitors.

  DOI：

  10.1021/jm5006429
• 作为产物：
  描述：

  3-甲酰基苯硼酸 在 盐酸 、 盐酸羟胺 、 水 、 sodium ethanolate 、 palladium diacetate 、 sodium carbonate 、 三苯基膦 、 锌 作用下， 以 1,4-二氧六环 、 乙醇 、 水 为溶剂， 生成 [3-(1,3-噻唑-2-基)苯基]甲胺
  参考文献：
  名称：

  Discovery of 2-Ethoxy-5-isobutyramido-N-1-substituted Benzamide Derivatives as Selective Kv2.1 Inhibitors with In Vivo Neuroprotective Effects

  摘要：

  DOI：

  10.1021/acs.jmedchem.3c01245

文献信息

• [EN] BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS<br/>[FR] COMPOSÉS BENZOLACTAMES UTILISÉS EN TANT QU'INHIBITEURS DE PROTÉINE KINASE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2017068412A1

  公开（公告）日：2017-04-27

  The invention provides a compound of formula (0): or a pharmaceutically acceptable salt, N-oxide or tautomer thereof. The compounds are inhibitors of ERK 1/2 kinases and will be useful in the treatment of ERKl/2-mediated conditions. The compounds are therefore useful in therapy, in particular in the treatment of cancer.

  该发明提供了一个化合物，其化学式为(0)：或其药学上可接受的盐、N-氧化物或互变异构体。这些化合物是ERK 1/2激酶的抑制剂，并将在治疗ERKl/2介导的疾病中发挥作用。因此，这些化合物在治疗中特别是在癌症治疗中是有用的。
• 8-Benzyltetrahydropyrazino[2,1-<i>f</i>]purinediones: Water-Soluble Tricyclic Xanthine Derivatives as Multitarget Drugs for Neurodegenerative Diseases
  作者：Andreas Brunschweiger、Pierre Koch、Miriam Schlenk、Felipe Pineda、Petra Küppers、Sonja Hinz、Meryem Köse、Stefan Ullrich、Jörg Hockemeyer、Michael Wiese、Jag Heer、Christa E. Müller

  DOI：10.1002/cmdc.201402082

  日期：2014.5.9

  designed as tricyclic xanthine derivatives containing a basic nitrogen atom in the tetrahydropyrazine ring to improve water solubility. A library of 69 derivatives was prepared and evaluated in radioligand binding studies at adenosine receptor (AR) subtypes and for their ability to inhibit monoamine oxidases (MAO). Potent dual‐target‐directed A1/A2A adenosine receptor antagonists were identified. Several

  8-苄基取代的四氢吡嗪并[ 2,1 - f ]嘌呤二酮被设计为在四氢吡嗪环中包含碱性氮原子的三环黄嘌呤衍生物，以提高水溶性。制备了69种衍生物的文库，并在放射性配体结合研究中评估了腺苷受体（AR）亚型及其抑制单胺氧化酶（MAO）的能力。确定了有效的双靶标定向A 1 / A 2A腺苷受体拮抗剂。几种化合物显示出三重靶标抑制作用。最好的化合物之一是8-（2,4-二氯-5-氟苄基）-1,3-二甲基-6,7,8,9-四氢吡嗪并[2,1 - f ]嘌呤-2,4（1 H，3 H）-dione（72）（人类AR：K i  A 1 217 n M，A 2A 233 n M；IC 50 MAO-B：508 n M）。二氯化化合物36 [8-（3,4-二氯苄基）-1,3-二甲基-6,7,8,9-四氢吡嗪并[2,1 - f ]嘌呤-2,4（1 H，3 H）-二酮]被认为是大鼠中最佳的三靶标药物（K i  A 1
• SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS
  申请人：Herdewijn Piet André Maurits Maria

  公开号：US20090318456A1

  公开（公告）日：2009-12-24

  Tri-substituted pteridines and tetra-substituted pteridines exhibit a significant and selective activity against certain types of viral infections, in particular they selectively inhibit the replication of the hepatitis C virus, and are useful for the prevention and treatment of such infections.

  三取代喹啉和四取代喹啉对某些类型的病毒感染表现出显著和选择性的活性，特别是它们选择性地抑制丙型肝炎病毒的复制，并可用于预防和治疗此类感染。
• SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS
  申请人：Herdewijn Piet Andre' Maurits Maria

  公开号：US20090253696A1

  公开（公告）日：2009-10-08

  This invention provides di-, tri- and tetra-substituted pyrido(3,2-d)pyrimidine derivatives with specific substituting patterns, their pharmaceutically acceptable salts, N-oxides, solvates, pro-drugs and enantiomers, possessing unexpectedly desirable pharmaceutical properties, in particular being highly active antiviral agents. The invention also provides use of such derivatives in the treatment of viral infections and pathologic conditions associated therewith, including hepatitis C.

  这项发明提供了具有特定取代模式的二、三和四取代吡啶并[3,2-d]嘧啶衍生物，其药学上可接受的盐、N-氧化物、溶剂合物、前药和对映体，具有意外地理想的药理特性，特别是作为高活性抗病毒剂。该发明还提供了利用这些衍生物治疗病毒感染及相关病理状况，包括丙型肝炎的用途。
• Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors
  申请人：Guzi J. Timothy

  公开号：US20070281951A1

  公开（公告）日：2007-12-06

  In its many embodiments, the present invention provides a novel class of pyrazolo[1,5-a]pyrimidine compounds as inhibitors of cyclin dependent kinases, methods of preparing such compounds, compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the CDKs using such compounds or compositions.

  在其许多实施例中，本发明提供了一种新型的嘧唑并[1,5-a]嘧啶类化合物作为细胞周期依赖性激酶抑制剂，制备这种化合物的方法，含有一种或多种此类化合物的组合物，制备包含一种或多种此类化合物的制药配方的方法，并使用这种化合物或组合物进行一种或多种与CDK相关的疾病的治疗、预防、抑制或改善的方法。