4-cumidine hydrochloride | 41888-28-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-cumidine hydrochloride
• 英文别名: 4-propan-2-ylbenzenediazonium;chloride
• CAS: 41888-28-2
• 化学式: C₉H₁₁N₂*Cl
• 分子量: 182.653
• InChiKey: MSNASHHILSBBLO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  28.15
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-cumidine hydrochloride 在 四丁基硫酸氢铵 吡啶 、 sodium hydroxide 、 18-冠醚-6 、 盐酸羟胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 13.0h， 生成 ethyl 2-[1-[5-(4-propan-2-ylphenyl)thiophen-2-yl]ethylideneamino]oxyacetate
  参考文献：
  名称：

  Shridhar, D. R.; Sastry, C. V. Reddy; Chaturvedi, S. C., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 7, p. 692 - 694

  摘要：

  DOI：
• 作为产物：
  描述：

  4-异丙基苯胺 在 盐酸 、 sodium nitrite 作用下， 生成 4-cumidine hydrochloride
  参考文献：
  名称：

  Shridhar, D. R.; Sastry, C. V. Reddy; Chaturvedi, S. C., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 7, p. 692 - 694

  摘要：

  DOI：

文献信息

• Nitrogen bridgehead compounds. Part 18. New antiallergic 4H-pyrido[1,2-a]pyrimidin-4-ones. Part I
  作者：Istvan Hermecz、Tibor Breining、Zoltan Meszaros、Agnes Horvath、Lelle Vasvari-Debreczy、Franz Dessy、Christine DeVos、Ludovic Rodriquez

  DOI：10.1021/jm00352a008

  日期：1982.10

  A new type of antiallergic agent, 9-hydrazono-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-ones, was synthesized and evaluated for inhibitory effects in the rat reagenic passive cutaneous anaphylaxis (PCA) screen. Several racemic 6-methyl derivatives were found to be more potent than disodium chromoglycate intravenously and some were also active orally. Structure-activity relationships are discussed

  合成了一种新型的抗过敏药9-肼基-6,7,8,9-四氢-4H-吡啶并[1,2-a]嘧啶-4-酮，并评估了其对大鼠自发性被动皮肤的抑制作用。过敏反应（PCA）屏幕。已发现几种消旋的6-甲基衍生物在静脉内比色甘氨酸二钠更有效，有些还具有口服活性。讨论了构效关系。在具有6S和6R绝对构型的对映异构体之间的6-甲基系列中观察到高立体特异性，前者更具活性。化合物17，（+）-6（S）-甲基-9-（苯肼基）-4-氧代-4H-吡啶并[1,2-a]嘧啶-3-羧酸[Chinoin-1045; [UCB L140]，ED50值为1.0 mumol / kg po，目前正在临床研究中。
• Telescoped Sequence of Exothermic and Endothermic Reactions in Multistep Flow Synthesis
  作者：Yachita Sharma、Arun V. Nikam、Amol A. Kulkarni

  DOI：10.1021/acs.oprd.8b00008

  日期：2019.2.15

  A multistep sequential flow synthesis of isopropyl phenol is demonstrated, involving 4-step exothermic, endothermic, and temperature sensitive reactions such as nitration, reduction, diazotization, and high temperature hydrolysis. Nitration of cumene with fuming nitric acid produces 2- and 4-nitrocumene which are converted into respective cumidines by the hydrogenation using Pd/Ni catalyst in H-cube

  演示了多步顺序流动合成异丙基苯酚的过程，涉及四步放热，吸热和温度敏感的反应，例如硝化，还原，重氮化和高温水解。用发烟硝酸对枯烯进行硝化，可生成2-和4-硝基枯烯，它们通过在重力分离条件下在H型立方体中使用Pd / Ni催化剂进行氢化而转化为相应的枯核苷。利用流动和微波辅助合成，在沸腾的酸性条件下进行原位生成的重氮盐的水解。得到58％的4-异丙基苯酚。顺序流动合成可以用于合成涉及该特定反应顺序的其他有机化合物。
• Synthesis and biological activity of a novel class of pyridazine analogues as non-competitive reversible inhibitors of protein tyrosine phosphatase 1B (PTP1B)
  作者：C Liljebris

  DOI：10.1016/s0968-0896(02)00176-1

  日期：2002.10

  A series of novel pyridazine analogues were prepared and the structure activity relationship of their behavior as inhibitors of PTP1B was evaluated. Most of the analogues had potencies in the low micromolar range. The in vitro kinetics of this compound series demonstrated that they were reversible non-competitive binders. This indicates that there may exist another site in the enzyme through which enzyme activity can be inhibited, which is not a recognized interaction domain. Some of the analogues exhibited high selectivity for other PTPases, for example, compound 12mp showed 20-fold selectivity for PTP1B (IC50 = 5.6 muM) versus both TCPTP and LAR (>100 muM, respectively). In contrast to many tyrosine phosphatase mimetic inhibitors, this compound class lacks negative charge and thus showed high permeability across cell membranes. Selective analogues in the series were analyzed in an in vitro cellular assay, which showed increased insulin-stimulated insulin receptor phosphorylation. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Design, synthesis and biological activity of novel non-peptidyl endothelin converting enzyme inhibitors, 1-phenyl-tetrazole-formazan analogues
  作者：Kazuto Yamazaki、Hirohiko Hasegawa、Kayo Umekawa、Yasuyuki Ueki、Naohito Ohashi、Masaharu Kanaoka

  DOI：10.1016/s0960-894x(02)00149-x

  日期：2002.5

  A novel non-peptidyl endothelin converting enzyme inhibitor was obtained through a pharmacophore analysis of known inhibitors and three-dimensional structure database search. Analogues of the new inhibitor were designed using the structure-activity relationship of known inhibitors and synthesized. In anesthetized rats, intraperitoneal administration of the analogues suppressed the pressor responses induced by big endothelin-1. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Pel'kis et al., Zhurnal Obshchei Khimii, 1957, vol. 27, p. 1849,1852;engl.Ausg.S.1913,1915
  作者：Pel'kis et al.

  DOI：——

  日期：——