3-Morpholino-4-nitranilin | 66234-65-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 3-Morpholino-4-nitranilin
• 英文别名: 3-morpholin-4-yl-4-nitro-aniline；N-(5-amino-2-nitrophenyl)morpholine；3-(Morpholin-4-yl)-4-nitroaniline；3-morpholin-4-yl-4-nitroaniline
• CAS: 66234-65-9
• 化学式: C₁₀H₁₃N₃O₃
• 分子量: 223.232
• InChiKey: DUNMXMVUKQHJPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  84.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Morpholino-4-nitranilin 在 盐酸 、 溶剂黄146 作用下， 以 氯仿 、 邻二甲苯 为溶剂， 生成 2-(3-Morpholino-4-nitrophenylamino)-benzothiazole
  参考文献：
  名称：

  Pande, Anil; Lokhande, S. R.; Patel, Madhuben R., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1983, vol. 22, # 3, p. 311 - 312

  摘要：

  DOI：
• 作为产物：
  描述：

  7-氯-6-硝基-4-羟基喹唑啉 在 盐酸 作用下， 生成 3-Morpholino-4-nitranilin
  参考文献：
  名称：

  Roy,J. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1978, vol. 16, p. 41 - 44

  摘要：

  DOI：

文献信息

• DYES
  申请人：——

  公开号：US20010052156A1

  公开（公告）日：2001-12-20

  A colorant for coloring keratin fibers wherein the colorant contains a substantive dye which is a 4-nitroaniline derivative corresponding to formula (I): 1 in which R 1 , R 2 , R 3 and R 4 independently of one another represent a hydrogen atom, an alkyl, hydroxyalkyl, alkoxyalkyl, carbamyl alkyl, mesylaminoalkyl, acetylaminoalkyl, ureidoalkyl, carbalkoxyaminoalkyl, sulfalkyl, piperidinoalkyl, morpholinoalkyl or phenyl radical optionally substituted by an amino group in the para position, the alkyl or alkoxy groups containing 1 to 4 carbon atoms, with the proviso that the four substituents R 1 , R 2 , R 3 and R 4 do not simultaneously represent hydrogen, and the groups —NR 1 R 2 and —NR 3 R 4 may also represent an aziridine, acetidine, pyrrolidine, piperidine, azepan, azocine, morpholine, thiomorpholine or piperazine ring which may also bear another substituent R 8 at the nitrogen atom, R 8 being a hydrogen atom, a (C 1-4 )-alkyl, hydroxy-(C 2-3 )-alkyl, (C 1-4 )-alkoxy-(C 2-3 )-alkyl, amino-(C 2-3 )-alkyl or 2,3-dihydroxypropyl group, and R 5 , R 6 and R 7 independently of one another represent ahydrogen atom, a halogen atom, a (C 1-4 )-alkyl, (C 1-4 )-alkoxy, carboxy, sulfo or (C 2-4 )-hydroxyalkyl group, or a physiologically compatible salt of the compounds with an inorganic or organic acid.

  一种用于给角蛋白纤维着色的着色剂，其中该着色剂含有一种实质性染料，该染料是与式(I)相对应的4-硝基苯胺衍生物，式中R1、R2、R3和R4分别独立地代表氢原子、烷基、羟基烷基、烷氧基烷基、氨基甲酰基烷基、甲磺基氨基烷基、乙酰氨基烷基、脲基烷基、羰基氨基烷基、磺基烷基、哌啶基烷基、吗啉基烷基或苯基基团，该苯基基团在对位可能被氨基取代，烷基或烷氧基基团含有1至4个碳原子，但R1、R2、R3和R4的四个取代基不能同时代表氢，而基团—NR1R2和—NR3R4也可以表示一个氮杂环丙烷、乙酸丙烷、吡咯烷、哌啶、氮丙烷、氮环己烷、吗啉、硫吗啉或哌嗪环，该环也可以在氮原子处带有另一个取代基R8，R8为氢原子、(C1-4)-烷基、羟基-(C2-3)-烷基、(C1-4)-烷氧基-(C2-3)-烷基、氨基-(C2-3)-烷基或2,3-二羟基丙基基团，而R5、R6和R7分别独立地代表氢原子、卤原子、(C1-4)-烷基、(C1-4)-烷氧基、羧基、磺酸基或(C2-4)-羟基烷基，或者是与无机或有机酸形成的生理相容盐。
• OXIDATION DYES
  申请人：Andreas J. Bittner

  公开号：US20010005914A1

  公开（公告）日：2001-07-05

  The invention relates to oxidation colorants which are particularly suitable for coloring keratin fiber and to a method of coloring such fiber. The colorants contain as the preliminary oxidation dye at least one diamino aniline of the general formula (I), in which R 1 to R 6 independently of each other are hydrogen, a (C 1- C 4 )-alkyl group, a hydroxy-(C 2- C 3 )-alkyl group, a (C 1- C 4 )-alkoxy-(C 2- C 3 )-alkyl group, an amino-(C 2- C 3 )-alkyl group in which the amino group can also have one or two (C 1- C 4 )-alkyl radicals, or a 2,3-dihydroxypropyl group provided that not all substituents R 1 to R 6 are simultaneously hydrogen, and R 1 and R 2 and/or R 3 and R 4 and/or R 5 and R 6 along with the nitrogen atom to which they are attached are also an aziridine ring, an azetidine ring, a pyrrolidine ring, a piperidine ring, an azepane ring, an azocine ring or a morpholino group, thiomorpholino group or piperazino group which has another substituent R 7 on the nitrogen atom which is selected from hydrogen, a (C 1- C 4 )-alkyl group, a hydroxy-(C 2- C 3 )-alkyl group, a (C 1- C 4 )-alkoxy-(C 2- C 3 )-alkyl group, an amino-(C 2- C 3 )-alkyl group, or a 2,3-dihydroxypropyl group, and the three remaining hydrogen atoms on the benzol ring can also be replaced independently of each other by a halogen atom or a (C 1- C 4 )-alkyl group, or the physiologically tolerable salts thereof with inorganic and organic acids. Shades of color are obtained which have a high level of brilliancy and color fastness.

  该发明涉及氧化着色剂，特别适用于着色角蛋白纤维，并提供了一种着色这种纤维的方法。这些着色剂包含至少一种二氨基苯胺的初级氧化染料，其通式为（I），其中R1到R6独立地是氢，（C1-C4）烷基，羟基（C2-C3）烷基，（C1-C4）烷氧基（C2-C3）烷基，氨基（C2-C3）烷基，其中氨基团也可以有一个或两个（C1-C4）烷基基团，或2,3-二羟基丙基基团，前提是R1到R6的所有取代基不同时是氢，且R1和R2和/或R3和R4和/或R5和R6连同它们连接的氮原子也是氮杂环丙烷环，氮杂环丁烷环，吡咯烷环，哌啶环，氮杂庚烷环，氮杂环庚烷环或吗啉基，硫代吗啉基或哌嗪基，其在氮原子上还有另一个取代基R7，选自氢，（C1-C4）烷基，羟基（C2-C3）烷基，（C1-C4）烷氧基（C2-C3）烷基，氨基（C2-C3）烷基，或2,3-二羟基丙基基团，苯环上的其余三个氢原子也可以独立地被卤原子或（C1-C4）烷基取代，或其与无机和有机酸的生理耐受盐。获得的色彩具有高度的光泽度和色牢度。
• Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor
  作者：Qianmao Liang、Beilei Wang、Fengming Zou、Gongrui Guo、Wenliang Wang、Wei Wang、Qingwang Liu、Lijuan Shen、Chen Hu、Wenchao Wang、Aoli Wang、Tao Huang、Yuying He、Ruixiang Xia、Jian Ge、Jing Liu、Qingsong Liu

  DOI：10.1016/j.ejmech.2023.115411

  日期：2023.8

  Through a structure-based irreversible drug design approach, we have discovered a highly potent IDH1-mutant inhibitor compound 16 (IHMT-IDH1-053) (IC50 = 4.7 nM), which displays high selectivity against IDH1 mutants over IDH1 wt and IDH2 wt/mutants. The crystal structure demonstrates that 16 binds to the IDH1 R132H protein in the allosteric pocket adjacent to the NAPDH binding pocket through a covalent

  通过基于结构的不可逆药物设计方法，我们发现了一种高效的 IDH1 突变体抑制剂化合物16 (IHMT-IDH1-053)（IC 50  = 4.7 nM），它对 IDH1 突变体的选择性高于 IDH1 wt 和 IDH2 wt /突变体。晶体结构表明16通过与残基 Cys269 的共价键结合到与 NAPDH 结合口袋相邻的变构口袋中的 IDH1 R132H 蛋白。16在 IDH1 R132H 突变体转染的 293T 细胞中抑制 2-羟基戊二酸 (2-HG) 的产生 (IC 50  = 28 nM)。此外，它还能抑制 HT1080 细胞系和原代 AML 细胞的增殖，这两种细胞都带有 IDH1 R132 突变体。体内，16在 HT1080 异种移植小鼠模型中抑制 2-HG 水平。我们的研究表明，16将成为研究 IDH1 突变体相关病理学的新药理学工具，共价结合模式为设计不可逆 IDH1 抑制剂提供了一种新方法。
• Chemical modulators of signaling pathways and therapeutic use
  申请人：Duke University

  公开号：US10905665B2

  公开（公告）日：2021-02-02

  Described are methods of treating a disease associated with dysregulation of the Wnt/Frizzled signaling pathway. The methods include identifying subjects in need of therapy, administering inhibitors of the Wnt/Frizzled signaling pathway, pharmaceutical compositions including the inhibitors, and methods of using the compounds and compositions for treating cancer, bacterial and viral infection, lupus, type II diabetes, nonalcoholic steatohepatitis (NASH) and nonalcoholic fatty liver disease (NAFLD) in a subject.

  描述了治疗与 Wnt/Frizzled 信号通路失调有关的疾病的方法。这些方法包括鉴定需要治疗的受试者、施用 Wnt/Frizzled 信号通路抑制剂、包括抑制剂的药物组合物，以及使用化合物和组合物治疗受试者的癌症、细菌和病毒感染、狼疮、II 型糖尿病、非酒精性脂肪性肝炎（NASH）和非酒精性脂肪肝（NAFLD）的方法。
• PANDE, A.;LOKHANDE, S. R.;PATEL, M. R.;KHADSE, B. G., INDIAN J. CHEM., 1983, 22, N 3, 311-312
  作者：PANDE, A.、LOKHANDE, S. R.、PATEL, M. R.、KHADSE, B. G.

  DOI：——

  日期：——