4-methoxyphenyl boric acid | 270262-18-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methoxyphenyl boric acid
• 英文别名: (4-methoxyphenoxy)boronic acid
• CAS: 270262-18-5
• 化学式: C₇H₉BO₄
• 分子量: 167.957
• InChiKey: SXLHAMYMTUEALX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.04
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-methoxyphenyl boric acid 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 三甲基溴硅烷 、 亚硝酸异戊酯 作用下， 以 乙二醇二甲醚 、 水 、 1,2-二溴乙烷 、 甲苯 为溶剂， 反应 9.5h， 生成 methyl 5-(4-(tert-butoxycarbonyl)phenyl)-6-(4-methoxyphenyl)nicotinate
  参考文献：
  名称：

  NITROGEN-CONTAINING HETEROARYL COMPOUND AND PHARMACEUTICAL USE THEREOF

  摘要：

  该发明提供了一种具有GLUT9抑制活性的化合物。该化合物的化学式为[I]，其中每个符号如规范中所定义，或其药用可接受的盐。

  公开号：

  US20190152926A1
• 作为产物：
  描述：

  4-溴苯甲醚 、 硼酸三异丙酯 生成 4-methoxyphenyl boric acid
  参考文献：
  名称：

  Sulfonamides and derivatives thereof that modulate the activity of

  摘要：

  提供了一种使用磺胺类化合物抑制内皮素肽与内皮素受体结合的方法，该方法是通过将磺胺类化合物与受体接触实现的。还提供了一种治疗内皮素介导疾病的方法，该方法是通过给予一种或多种有效量的磺胺类化合物或其前药，该化合物或前药能够抑制或增加内皮素的活性。磺胺类化合物的化学式为I：##STR1## 其中Ar.sup.1是3-或5-异恶唑基，Ar.sup.2选自烷基，包括直链和支链，芳香环，融合的芳香环和杂环，包括带有一个、两个或多个杂原子的5-成员杂环和其融合环的类似物以及带有一个、两个或多个杂原子的6-成员环和其融合环的类似物。Ar.sup.2优选为噻吩基，呋喃基，吡咯基，萘基和苯基。其中，Ar.sup.1为4-卤代异恶唑基的化合物比相应的烷基取代化合物更活性，而Ar.sup.1在该位置上取代较高烷基的化合物往往表现出比相应的较低烷基取代化合物更大的亲和力ET.sub.B受体。

  公开号：

  US05571821A1

文献信息

• Phthalazine derivatives and remedies for erectile dysfunction
  申请人：Eisai Co., Ltd.

  公开号：US06498159B1

  公开（公告）日：2002-12-24

  The present invention provides a phthalazine compound as a therapeutic agent for erectile dysfunction represented by the following formula, a pharmacologically acceptable salt thereof or a hydrate thereof: wherein R1 and R2 are the same as or different from each other and represent a halogen atom, a C1 to C4 alkyl group which may be substituted with a halogen atom, a C1 to C4 alkoxy group which may be substituted with a halogen atom or a cyano group; X represents a cyano group, a nitro group, a halogen atom, a hydroxyimino group which may be substituted or a heteroaryl group which may be substituted; Y represents a heteroaryl group, an aryl group which may be substituted, an alkynyl group which may substituted, an alkenyl group, an alkyl group, an optionally substituted saturated or unsaturated 4- to 8-membered amine ring, and the cyclic amine compound is a monocyclic compound, bicyclic compound or a spiro compound; l is an integer of 1 to 3; provided that the case where l is 1 or 2, X is a cyano group, a nitro group or a chlorine atom, R1 is a chlorine atom, R2 is a methoxy group and Y is a 5- or 6-membered amine ring substituted with a hydroxyl group is excluded.

  本发明提供了一种邻苯二氮杂环化合物，作为下式所代表的勃起功能障碍的治疗剂，其药理学上可接受的盐或水合物： 其中R1和R2相同或不同，分别代表卤素原子、可能被卤素原子取代的C1到C4烷基、可能被卤素原子取代的C1到C4烷氧基或氰基；X代表氰基、硝基、卤素原子、可能被取代的羟基亚胺基团或可能被取代的杂芳基团；Y代表杂芳基团、可能被取代的芳基团、可能被取代的炔基团、烯基团、烷基团、可选择地取代的饱和或不饱和的4-至8-成员氨基环，且环状胺化合物是单环化合物、双环化合物或螺环化合物；l为1到3的整数；但在l为1或2的情况下，X为氰基、硝基或氯原子，R1为氯原子，R2为甲氧基团，Y为取代羟基的5-或6-成员氨基环的情况除外。
• Amine compounds, their production and use as amyloid-&bgr; production inhibitors
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06310107B1

  公开（公告）日：2001-10-30

  A compound of the formula: wherein Ar is an aromatic ring assembly group which may be substituted or a fused aromatic group which may be substituted; X is (i) a bond, (ii) —S—, —SO— or —SO2—, (iii) C1-6 alkylene, C2-6 alkenylene or C2-6 alkynylene, etc., (iv) —CO—O— or (v) —(CH2)p-X1—, —(CH2)p-X1— (CH2)q-, —(CH2)r-CO—X1—, —SO2—NR8— or —(CH2)r-SO2—NR8— wherein X1 is O or NR8, R8 is H, a hydrocarbon group which may be substituted or an acyl, p is 0 to 5, q is 1 to 5, p+q is 1 to 5, and r is 1 to 4; Y is a divalent C1-6 aliphatic hydrocarbon group optionally containing O or S, which may be substituted; R1 and R2 each is H or a lower alkyl which may be substituted, or R1 and R2 form a N-containing heterocyclic ring which may be substituted; Ring A is a benzene ring which may be further substituted; and Ring B is a 4- to 8-membered ring which may be further substituted, or a salt thereof has the effect of inhibiting amyloid-&bgr; protein production and/or secretion and is useful as a pharmaceutical composition for preventing and/or treating the neurodegenerative disease, etc.

  该化合物的化学式如下：其中Ar是一种芳香环组合基团，可以是取代的或者是取代的融合芳香基团；X是（i）一个键，（ii）—S—，—SO—或—SO2—，（iii）C1-6烷基，C2-6烯基或C2-6炔基等，（iv）—CO—O—或（v）—（CH2）p-X1—，—（CH2）p-X1—（CH2）q-，—（CH2）r-CO—X1—，—SO2—NR8—或—（CH2）r-SO2—NR8—其中X1是O或NR8，R8是H，一个可以被取代的碳氢基团或酰基，p是0到5，q是1到5，p+q是1到5，r是1到4；Y是一个二价的C1-6脂肪烃基，可选含有O或S，可以是取代的；R1和R2分别是H或一个可以被取代的较低烷基，或者R1和R2形成一个可以被取代的含氮杂环；环A是一个苯环，可以进一步被取代；环B是一个4至8元环，可以进一步被取代，或其盐具有抑制淀粉样蛋白β蛋白的产生和/或分泌的作用，并且可作为预防和/或治疗神经退行性疾病等的药物组成部分。
• Synthesis and Antitumor Evaluation of Nitrovinyl Biphenyls: Anticancer Agents Based on Allocolchicines
  作者：Nishant Jain、Divya Yada、Thokhir B. Shaik、Galanki Vasantha、P. Surendra Reddy、Shasi V. Kalivendi、B. Sreedhar

  DOI：10.1002/cmdc.201100019

  日期：2011.5.2

  A new class of nitrovinyl biphenyl compounds based on the structures of colchicines and allocolchicines were designed, synthesized, and shown to inhibit tubulin polymerization and cause mitotic arrest. A majority of these compounds were found to possess potent anticancer properties, with IC50 values in the range of 0.05–7 μM, and are equally potent with colchicine in HeLa and MCF‐7 cells. Compounds

  设计，合成了基于秋水仙碱和二十碳五烯茶碱结构的新型一类硝基乙烯基联苯化合物，该化合物可抑制微管蛋白聚合并引起有丝分裂停滞。大多数这些化合物被发现具有有效的抗癌性质，带IC 50个中的0.05-7μ范围内的值中号，并且与在HeLa和MCF-7细胞秋水仙碱同等有效。化合物14e和14f抑制微管蛋白的组装超过60％，流式细胞仪研究表明，细胞周期的G 2 / M期细胞以浓度依赖的方式生长停滞。用14 f处理细胞导致细胞周期蛋白B1和极光激酶B mRNA水平的上调，这对应于细胞周期G 2 / M期的生长停滞（作为作用方式）。
• Biarylalkylenecarbamic acid derivatives and bacteriocides for agricultural and horticultural use
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：US06620961B1

  公开（公告）日：2003-09-16

  Biarylalkylenecarbamic acid derivative represented by general formula (I): [wherein Q is a phenyl group which may be substituted or the like, X is a halogen atom, a (C1-C6) alkyl group or the like, n is 0 or an integer of from 1 to 4, R1 is a (C1-C6) alkyl group or the like, R2 is a hydrogen atom, a (C1-C6) alkyl group or the like, A is a (C1-C7) alkylene group which may be branched, and G is an oxygen atom, a sulfur atom or a group —NR— (wherein R3 is a hydrogen atom or a (C1-C4) alkyl group)] and agricultural and horticultural fungicides. The agricultural and horticultural fungicides of the present invention are useful as agricultural and horticultural fungicides because they have high preventive effects on cucumber downy mildew, apple scab, wheat powdery mildew, rice blast, cucumber gray mold and rice sheath blight without damaging crops, and are excellent in residual effectiveness and rain-resistance.

  一种由通式（I）表示的双芳基烷基氨基甲酸衍生物：[其中Q是苯基，可以被取代或类似物，X是卤素原子，(C1-C6)烷基或类似物，n是0或1至4的整数，R1是(C1-C6)烷基或类似物，R2是氢原子，(C1-C6)烷基或类似物，A是(C1-C7)烷基，可以是支链状的，G是氧原子，硫原子或者是一个基团—NR—（其中R3是氢原子或(C1-C4)烷基），以及用于农业和园艺的杀菌剂。本发明的农业和园艺杀菌剂因其对黄瓜霜霉病、苹果黑星病、小麦白粉病、水稻稻瘟病、黄瓜灰霉病和水稻纹枯病具有高预防效果，而不会损害作物，并且在残留效果和抗雨性方面表现出色，因此非常有用。
• Facile Synthesis of 4-Substituted-2-quinolinone-3-carboxylic Acid Ethyl Esters
  作者：Lijuan Zhang、Yu Luo、Shanbao Yu、Wei Lu

  DOI：10.1002/jhet.967

  日期：2012.9

  An efficient route for the synthesis of 4‐substituted‐2‐quinolinone‐3‐carboxylic acid ethyl esters has been developed through Suzuki or Sonogashira reactions. The advantages of the method include high yields, operational simplicity, and suitability for medicinal modification of 4‐substituted quinolinones and their derivatives.

  通过Suzuki或Sonogashira反应，已经开发出一种有效的合成4-取代-2-喹啉酮-3-羧酸乙酯的途径。该方法的优点包括高收率，操作简便以及适用于4取代的喹啉酮及其衍生物的药物修饰。