3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-amine | 1159187-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-amine
• 英文别名: 3-methyl-4-(4-p-tolyl)-1H-pyrazol-5-amine；5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
• CAS: 1159187-59-3
• 化学式: C₁₁H₁₃N₃
• mdl: MFCD06135854
• 分子量: 187.244
• InChiKey: FIQXGADANMRLKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-amine 在 溶剂黄146 、 三氯氧磷 作用下， 反应 4.0h， 生成 7-Chloro-2,5-dimethyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  Discovery and characterization of a novel 7-aminopyrazolo[1,5-a]pyrimidine analog as a potent hepatitis C virus inhibitor

  摘要：

  We describe a novel 7-aminopyrazolo[1,5-a]pyrimidine (7-APP) derivative as a potent hepatitis C virus (HCV) inhibitor. A series of 7-APPs was synthesized and evaluated for inhibitory activity against HCV in different cell culture systems. The synthesis and preliminary structure-activity relationship study of 7-APP are reported. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.123
• 作为产物：
  描述：

  对甲基苯乙腈 在 盐酸肼 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 、 mineral oil 为溶剂， 反应 0.08h， 生成 3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-amine
  参考文献：
  名称：

  N-Acetyl-3-aminopyrazoles block the non-canonical NF-kB cascade by selectively inhibiting NIK

  摘要：

  由于击中导向优化，氨基吡唑3a是一种选择性超过44种激酶的NIK抑制剂。

  DOI：

  10.1039/c8md00068a

文献信息

• The Suzuki–Miyaura Cross-Coupling Reaction of Halogenated Aminopyrazoles: Method Development, Scope, and Mechanism of Dehalogenation Side Reaction
  作者：Lukáš Jedinák、Renáta Zátopková、Hana Zemánková、Alena Šustková、Petr Cankař

  DOI：10.1021/acs.joc.6b02306

  日期：2017.1.6

  The efficient Suzuki–Miyaura cross-coupling reaction of halogenated aminopyrazoles and their amides or ureas with a range of aryl, heteroaryl, and styryl boronic acids or esters has been developed. The method allowed incorporation of problematic substrates: aminopyrazoles bearing protected or unprotected pyrazole NH, as well as the free amino or N-amide group. Direct comparison of the chloro, bromo

  卤代氨基吡唑及其酰胺或脲与一系列芳基，杂芳基和苯乙烯基硼酸或酯的有效Suzuki-Miyaura交叉偶联反应已得到开发。该方法允许掺入有问题的底物：带有保护或未保护的吡唑NH以及自由氨基或N-酰胺基的氨基吡唑。在Suzuki-Miyaura反应中对氯，溴和碘吡唑的直接比较显示，由于降低了脱卤的倾向，Br和Cl衍生物优于碘吡唑。此外，揭示了影响不希望的脱卤副反应的机理和因素。
• NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR
  申请人：Shin Song Seok

  公开号：US20130158025A1

  公开（公告）日：2013-06-20

  Disclosed is a novel compound acting as a cannabinoid receptor 1 inhibitor, a prodrug thereof, an isomer thereof, a pharmaceutically acceptable salt thereof, a hydrate thereof or a solvate thereof. The novel compound or the like is useful for preventing or treating diseases mediated by the cannabinoid receptor-1.

  公开的是一种作为大麻素受体1抑制剂的新化合物，其前体，异构体，其药用可接受盐，水合物或溶剂化合物。该新化合物或类似物对预防或治疗由大麻素受体1介导的疾病有用。
• Condensation of 5-amino-4-arylpyrazoles with itaconic acid and maleic anhydride
  作者：S. I. Filimonov、M. K. Korsakov、Zh. V. Chirkova、I. G. Abramov、G. A. Stashina、S. I. Firgang、Yu. A. Kovygin、Kh. S. Shikhaliev

  DOI：10.1007/s10593-013-1337-7

  日期：2013.10

  Substituted 5-amino-4-arylpyrazoles on condensation with itaconic acid form substituted tetrahydropyrazolo[1,5-a]pyrimidines, and on condensation with maleic anhydride form 2,3-dihydro-1H-imidazolo[1,2-b]pyrazoles, which on more extended heating rearrange into tetrahydro-pyrazolo[1,5-a]pyrimidines.

  与衣康酸缩合形成取代的四氢吡唑并[1,5- a ]嘧啶，与马来酸酐缩合形成2,3-二氢-1 H-咪唑并[1,2- b ]吡唑取代的5-氨基-4-芳基吡唑，在更长时间的加热下，重排为四氢吡唑并[1,5- a ]嘧啶。
• Compound acting as a cannabinoid receptor-1 inhibitor
  申请人：Shin Song Seok

  公开号：US08975264B2

  公开（公告）日：2015-03-10

  Disclosed is a novel compound acting as a cannabinoid receptor 1 inhibitor, the compound being a pyrazolo[1,5-a]pyrimidine derivative, a prodrug thereof, an isomer thereof, a pharmaceutically acceptable salt thereof, a hydrate thereof or a solvate thereof. The novel compound or the like is useful for preventing or treating diseases mediated by the cannabinoid receptor-1.

  本发明涉及一种新型化合物，作为大麻素受体1抑制剂，该化合物为吡唑并[1,5-a]嘧啶衍生物，其前药、异构体、药学上可接受的盐、水合物或溶剂化合物。该新型化合物或类似物可用于预防或治疗由大麻素受体1介导的疾病。
• Positive photosensitive compositions
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：US20030010748A1

  公开（公告）日：2003-01-16

  A positive photosensitive composition comprising (A) a compound capable of generating a fluorine-substituted alkanesulfonic acid having 2 to 4 carbon atoms by irradiation of actinic rays or radiation, (B) a resin having a monocyclic or polycyclic alicyclic hydrocarbon structure and being decomposed by the action of an acid to increase solubility in an alkali developer, (C) a basic compound, and (D) a fluorine and/or silicon surfactant.

  一种正感光组合物，它包括：(A) 一种化合物，这种化合物能在放 射线或辐射的照射下生成具有 2 至 4 个碳原子的氟代烷磺酸；(B) 一种树脂，这种树脂 具有单环或多环脂环烃结构，并能在酸的作用下分解以增加在碱显影剂中的溶解度； (C) 一种碱性化合物；(D) 一种氟和/或硅表面活性剂。