1-苄氧基-2-甲氧基-5-硝基-4-(2-硝基乙烯基)苯 | 98258-74-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-苄氧基-2-甲氧基-5-硝基-4-(2-硝基乙烯基)苯
• 英文名称: 1-benzyloxy-2-methoxy-5-nitro-4-(2-nitrovinyl)benzene
• 英文别名: 4-Benzyloxy-3-methoxy-6-beta-dinitrostyrene；1-methoxy-4-nitro-5-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
• CAS: 98258-74-3
• 化学式: C₁₆H₁₄N₂O₆
• 分子量: 330.297
• InChiKey: JSBRNDUJBKQPGF-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-苄氧基-2-甲氧基-5-硝基-4-(2-硝基乙烯基)苯 以91%的产率得到
  参考文献：
  名称：

  SINHABABU, A. K.;BORCHARDT, R. T., J. ORG. CHEM., 1983, 48, N 19, 3347-3349

  摘要：

  DOI：
• 作为产物：
  描述：

  4-苄氧基-3-甲氧基苯甲醛 在 硫酸 、 ammonium acetate 、 硝酸 、 溶剂黄146 作用下， 反应 3.0h， 生成 1-苄氧基-2-甲氧基-5-硝基-4-(2-硝基乙烯基)苯
  参考文献：
  名称：

  Syntheses of NAMDA derivatives inhibiting NO production in BV-2 cells stimulated with lipopolysaccharide

  摘要：

  Sixteen derivatives of N-acetyl-3-O-methyldopamine (NAMDA), an inhibitor of BH4 synthesis, were designed and synthesized. The ability of these derivatives to inhibit NO and BH4 production by lipopolysaccharide-stimulated BV-2 microglial cells was determined. While NAMDA at 100 mu M inhibited NO and BH4 production by only about 20%, its catecholamide 8, indole 23 derivative, 13, and N-acetyl tetrahydroisoquinoline 25 inhibited the NO production by > 50% at the same concentration. In particular, 13 and 25 inhibited both NO and BH4 production to similar degrees, which suggested that these compounds might inhibit NO production by blocking BH4-dependent dimerization of the newly synthesized iNOS monomer. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.033

文献信息

• (Aza)indole derivative and use thereof for medical purposes
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP2402314A1

  公开（公告）日：2012-01-04

  The present invention provides compounds useful as agents for the prevention or treatment of a disease associated with abnormal serum uric acid level which has a uricosuric activity or the like. The present invention relates to (aza)indole derivatives represented by the following general formula (I) having xanthine oxidase inhibitory activities and useful as agents for the prevention or treatment of a disease associated with abnormality of serum uric acid level, prodrugs thereof, or salts thereof. In the formula (I), T represents nitro or cyano and the like; ring J represents aryl or heteroaryl and the like; Q represents carboxy or 5-tetazolyl and the like; Y represents H, OH, NH2, halogen, nitro, alkyl, alkoxy and the like; X1, X2 and X3 independently represent CR2 or N; R1 and R2 independently represent halogen, cyano, haloalkyl, A-D-E-G; -N(-D-E-G)2 and the like, in the formula, A represents a single bond, O, S and the like; D and G independently represent optionally substituted alkylene, cycloalkylene, heterocycloalkylene, arylene, heteroarylene and the like; E represents a single bond, O, S, COO, SO2 and the like.

  本发明提供了可用于预防或治疗与血清尿酸水平异常有关的疾病的化合物，这些化合物具有尿酸活性或类似活性。本发明涉及由以下通式(I)代表的具有黄嘌呤氧化酶抑制活性的(氮杂)吲哚衍生物，可用作预防或治疗与血清尿酸水平异常有关的疾病的制剂、其原药或其盐。在式 (I) 中，T 代表硝基或氰基等，环 J 代表芳基或杂芳基等，Q 代表羧基或 5-四唑基等，Y 代表 H、OH、NH2、卤素、硝基、烷基、烷氧基等，X1、X2 和 X3 独立地代表 CR2 或 N，R1 和 R2 独立地代表卤素、氰基、卤代烷基、A-D-E-G；-N(-D-E-G)2等，式中，A代表单键、O、S等；D和G独立地代表任选取代的亚烷基、环烷基、杂环烷基、芳基、杂芳基等；E代表单键、O、S、COO、SO2等。
• (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP2133332B1

  公开（公告）日：2013-09-18
• Mayer, Alice A.; Murphy, Bryan P., Synthetic Communications, 1985, vol. 15, # 5, p. 423 - 430
  作者：Mayer, Alice A.、Murphy, Bryan P.

  DOI：——

  日期：——
• MAYER, A. A.;MURPHY, B. P., SYNTH. COMMUN., 1985, 15, N 5, 423-429
  作者：MAYER, A. A.、MURPHY, B. P.

  DOI：——

  日期：——
• US8003647B2
  申请人：——

  公开号：US8003647B2

  公开（公告）日：2011-08-23