4-(甲氧基甲氧基)苯胺 | 876-30-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(甲氧基甲氧基)苯胺
• 英文名称: 4-(methoxymethoxy)aniline
• 英文别名: 4-methoxymethyloxyaniline
• CAS: 876-30-2
• 化学式: C₈H₁₁NO₂
• mdl: MFCD21195209
• 分子量: 153.181
• InChiKey: PMFXZWXKPPPNSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(甲氧基甲氧基)苯胺 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 45.0h， 生成 3-甲基-5-羟基-2-(4-羟基苯基)-1H-吲哚
  参考文献：
  名称：

  Bazedoxifene-Scaffold-Based Mimetics of Solomonsterols A and B as Novel Pregnane X Receptor Antagonists

  摘要：

  Pregnane X receptor (PXR), a member of the NR1I nuclear receptor family, acts as a xenobiotic sensor and a paramount transcriptional regulator of drug-metabolizing enzymes and transporters. The overexpression of PXR in various cancer cells indicates the importance of PXR as a drug target for countering multidrug resistance in anticancer treatments. We describe the discovery of novel bazedoxifene-scaffold-based PXR antagonists inspired by the marine sulfated steroids solomonsterol A and B as natural leads. A luciferase reporter assay on a PXR-transfected HepG2 cell line identified compounds 19-24 as promising PXR antagonists. Further structure-activity relationship studies of the most active PXR antagonist from the series (compound 20, IC50 = 11 mu M) revealed the importance of hydroxyl groups as hydrogen-bond donors for PXR antagonistic activity. PXR antagonists 20 and 24 (IC50 = 14 mu M), in addition to the downregulation of PXR expression, exhibited inhibition of PXR-induced CYP3A4 expression, which illustrates their potential to suppress PXR-regulated phase-I drug metabolism.

  DOI：

  10.1021/jm500351m
• 作为产物：
  描述：

  对硝基(苯)酚钾 在 ammonium hydroxide 、 iron(II) sulfate 、 丙酮 作用下， 生成 4-(甲氧基甲氧基)苯胺
  参考文献：
  名称：

  Weygand; Gabler; Bircan, Journal fur praktische Chemie (Leipzig 1954), 1941, vol. <2>158, p. 266,272

  摘要：

  DOI：

文献信息

• HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF
  申请人：GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD

  公开号：US20180098990A1

  公开（公告）日：2018-04-12

  A compound represented by Formula I or pharmaceutically acceptable salt thereof. The present invention relates to a 4-arylamino quinazoline hydroxamic acid compound having a histone deacetylase inhibitory activity, preparation method of the compound, pharmaceutical composition comprising the compound, and use of the compound and the pharmaceutical composition in the preparation of a histone deacetylase inhibitor medicine. The present invention aims at acquiring, via a medicine design and a synthetic technology, a series of selective histone deacetylase inhibitors having good hypotype selectivity and favorable pharmacokinetic characteristics based on optimization of an enzyme surface recognition region and connection region of 4-arylamino quinazoline, thus reducing an effect on normal tissues or cells while improving an antineoplastic activity of the normal tissues or cells.

  本发明涉及一种具有组蛋白去乙酰化酶抑制活性的4-芳氨基喹唑啉羟胺酸化合物、其制备方法、包含该化合物的药物组合物，以及该化合物和药物组合物在制备组蛋白去乙酰化酶抑制剂药物中的用途。本发明的目的是通过药物设计和合成技术，基于优化4-芳氨基喹唑啉的酶表面识别区域和连接区域，获得一系列具有良好低类型选择性和有利药代动力学特性的选择性组蛋白去乙酰化酶抑制剂，从而在提高正常组织或细胞的抗肿瘤活性的同时，减少对正常组织或细胞的影响。
• Sulfonamide derivatives
  申请人：Eisai Co., Ltd.

  公开号：US05250549A1

  公开（公告）日：1993-10-05

  Sulfonamide derivatives of the general formula (I): ##STR1## wherein preferably R.sup.1 represents a lower alkoxy group, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6 and R.sup.7 are as defined in the specification, A and B may be the same or different from each other and each represents .dbd.N-- or .dbd.CH--, E represents an aromatic 6-membered cyclic group, which may have 1 or 2 nitrogen atoms in the ring, and may be substituted with 1 to 3 substituents which may be the same or different from one another with the proviso that a combination of R.sup.1 which is a hydrogen atom, lower alkyl group, nitro group or amino group which may be protected, R.sup.2 and R.sup.3 which are each a hydrogen atom, A and B which are each .dbd.CH-- and E which is a phenyl group which may be substituted with 1 to 3 substituents G which may be the same or different from one another is excluded, or pharmacologically acceptance salts of them.

  磺酰胺衍生物的通用公式(I)：##STR1## 其中，优选地，R.sup.1代表一个低烷氧基团，R.sup.2、R.sup.3、R.sup.4、R.sup.5、R.sup.6和R.sup.7如说明书所述定义，A和B可以相同也可以不同，每个代表.dbd.N--或.dbd.CH--, E代表一个芳香族6元环组，其中环中可能含有1个或2个氮原子，并且可以用1到3个可以相同也可以不同的取代基进行取代，前提是R.sup.1为氢原子、低烷基、硝基或可能被保护的氨基，R.sup.2和R.sup.3各自为氢原子，A和B各自为.dbd.CH--，E为可以被1到3个相同或不同的取代基G取代的苯基组被排除在外，或者是它们的药理可接受盐。
• Photoresponsive self-assembled hexameric capsules based on calix[4]resorcinarenes bearing azobenzene dendron conjugates as side chains
  作者：Tsubasa Sakano、Toshifumi Ohashi、Masamichi Yamanaka、Kenji Kobayashi

  DOI：10.1039/c5ob00997a

  日期：——

  We synthesized calix[4]resorcinarenes bearing various azobenzene dendron conjugates as side chains, wherein the azobenzene moiety is a photoresponsive unit and the dendron moiety is a capsule-destabilizing unit, and then studied the photoresponsive properties of their self-assembled hexameric capsules in conjunction with guest encapsulation in H2O-saturated CDCl3. It was found that correlation between

  我们合成了带有各种偶氮苯树枝状共轭物作为侧链的杯[4]间苯二酚芳烃，其中偶氮苯部分是光响应单元，树枝状部分是胶囊失稳单元，然后结合它们研究了自组装六聚体胶囊的光响应特性与客体封装在H 2 O饱和的CDCl 3中。它被发现之间的相关反式-到-顺主机的偶氮苯树枝状侧链的光致异构化和随之而来的胶囊不稳定导致来宾释放在很大程度上取决于树枝状部分的性质，例如其空间的蓬松度和亲水性。
• Microwave‐Assisted Deacylation of Unactivated Amides Using Ammonium‐Salt‐Accelerated Transamidation
  作者：Yuhei Shimizu、Hiroyuki Morimoto、Ming Zhang、Takashi Ohshima

  DOI：10.1002/anie.201202354

  日期：2012.8.20

  The combination of an ammonium salt and ethylenediamine promotes deacylation of a variety of unactivated amides to give the corresponding amines in high yields without the use of strong acids or bases. The reactions proceed without special care regarding air and moisture, and tolerate a wide range of functional groups.

  铵盐和乙二胺的组合可促进各种未活化酰胺的脱酰作用，从而以高收率得到相应的胺，而无需使用强酸或强碱。反应进行时无需特别注意空气和水分，并能耐受各种官能团。
• 一种组蛋白去乙酰化酶抑制剂及其制备方法和用途
  申请人：广东众生药业股份有限公司

  公开号：CN106045923A

  公开（公告）日：2016-10-26

  本发明提供一种式I所示化合物或其药物可接受的盐，涉及具有组蛋白去乙酰化酶抑制活性的4‑芳氨基喹唑啉异羟肟酸类的新型化合物、所述化合物的制备方法、包含所述化合物的药物组合物以及所述化合物和药物组合物在制备组蛋白去乙酰化酶抑制剂类药物中的用途；旨在通过药物设计及合成手段获取一系列基于对4‑芳氨基喹唑啉为酶表面识别区及连接区进行优化，具有亚型选择性和良好药代动力学特性的选择性组蛋白去乙酰化酶抑制剂，以提高抗肿瘤活性的同时减少对正常组织或细胞的影响。