(2-甲氧基-4-硝基苯基)二乙酸甲二醇酯 | 198821-77-1

• 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: (2-甲氧基-4-硝基苯基)二乙酸甲二醇酯
• 中文别名: (2-甲氧基-4-硝基苯)二乙酸甲酯
• 英文名称: 2-methoxy-4-nitrobenzylidene diacetate
• 英文别名: (2-methoxy-4-nitrophenyl)methylene diacetate；1-diacetoxymethyl-2-methoxy-4-nitro-benzene；1-Diacetoxymethyl-2-methoxy-4-nitro-benzol；4-nitro-2-methoxy-(a,a-bisacetoxy)toluene；4-nitro-2-methoxy-(@α@α bisacetoxy)toluene；[acetyloxy-(2-methoxy-4-nitrophenyl)methyl] acetate
• CAS: 198821-77-1
• 化学式: C₁₂H₁₃NO₇
• 分子量: 283.238
• InChiKey: GMHRDXGOIVQOSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  (2-甲氧基-4-硝基苯基)二乙酸甲二醇酯 在 palladium on activated charcoal 盐酸 、 4-二甲氨基吡啶 、 氢气 、 potassium carbonate 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 50.0 ℃ 、5.33 kPa 条件下， 生成 Thiophene-2-carboxylic acid (3-methoxy-4-oxazol-5-yl-phenyl)-amide
  参考文献：
  名称：

  Novel amide-based inhibitors of inosine 5′-monophosphate dehydrogenase

  摘要：

  A series of novel amide-based small molecule inhibitors of inosine monophosphate dehydrogenase (IMPDH) was explored. The synthesis and the structure-activity relationships (SARs) derived from in vitro studies are described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00601-7
• 作为产物：
  描述：

  5-硝基-2-甲基苯甲醚 以51的产率得到(2-甲氧基-4-硝基苯基)二乙酸甲二醇酯
  参考文献：
  名称：

  Inhibitors of IMPDH enzyme

  摘要：

  本发明涉及一种新型的化合物类别，这些化合物是IMPDH抑制剂。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制IMPDH酶活性，因此，可以优势地作为IMPDH介导的过程的治疗剂使用。本发明还涉及使用本发明的化合物和相关化合物来抑制IMPDH活性的方法。

  公开号：

  US06344465B1

文献信息

• Heterocycles that are inhibitors of IMPDH enzyme
  申请人：——

  公开号：US20020040022A1

  公开（公告）日：2002-04-04

  Compounds of the formula 1 wherein X 1 is C(O), —S(O)—, or —S(O) 2 —; X 2 is CR 3 or N; X 3 is —NH—, —O—, or —S—; X 4 is CR 4 or N; X 5 is CR 5 or N; and X 6 is CR 6 or N are useful as inhibitors of IMPDH enzyme. Thus, these compounds can be used as therapeutic agents for IMPDH-associated disorders.

  公式1中的化合物，其中X1是C(O)、—S(O)—或—S(O)2—；X2是CR3或N；X3是—NH—、—O—或—S—；X4是CR4或N；X5是CR5或N；X6是CR6或N，可用作IMPDH酶的抑制剂。因此，这些化合物可作为治疗IMPDH相关疾病的治疗剂。
• Substitution Effect on 2-(Oxazolinyl)-phenols and 1,2,5-Chalcogenadiazole<i>-</i>Annulated Derivatives: Emission-Color-Tunable, Minimalistic Excited-State Intramolecular Proton Transfer (ESIPT)-Based Luminophores
  作者：Dominik Göbel、Pascal Rusch、Daniel Duvinage、Tim Stauch、Nadja-C. Bigall、Boris J. Nachtsheim

  DOI：10.1021/acs.joc.1c00846

  日期：2021.11.5

  Minimalistic 2-(oxazolinyl)-phenols substituted with different electron-donating and -withdrawing groups as well as 1,2,5-chalcogenadiazole-annulated derivatives thereof were synthesized and investigated in regard to their emission behavior in solution as well as in the solid state. Depending on the nature of the incorporated substituent and its position, emission efficiencies were increased or diminished

  合成了被不同给电子和吸电子基团取代的简约 2-(恶唑啉基)-苯酚及其 1,2,5-硫属二唑环化衍生物，并研究了它们在溶液和固体中的发射行为状态。根据引入的取代基的性质及其位置，发射效率会增加或减少，从而产生 AIE 或 ACQ 特性。单晶分析揭示了 J 型和 H 型包装基序以及迄今为止未描述的以酮形式分离的基于 ESIPT 的荧光团。
• Compounds derived from an amine nucleus that are inhibitors of IMPDH enzyme
  申请人：Bristol-Myers Squibb Co.

  公开号：US06399773B1

  公开（公告）日：2002-06-04

  The present invention discloses the identification of the novel inhibitors of IMPDH (inosine-5′-monophosphate dehydrogenase). The compounds and pharmaceutical compositions disclosed herein are useful in treating or preventing IMPDH mediated diseases, such as transplant rejection and autoimmune diseases.

  本发明揭示了IMPDH（次黄嘌呤-5'-单磷酸脱氢酶）的新型抑制剂的识别。本文披露的化合物和药物组合物在治疗或预防IMPDH介导的疾病方面具有用途，例如移植排斥和自身免疫疾病。
• Compounds derived from an amine nucleus and pharmaceutical compositions comprising same
  申请人：——

  公开号：US20020143176A1

  公开（公告）日：2002-10-03

  Compounds having the formula (I), 1 are effective as inhibitors of IMPDH enzyme and/or serine protease Factor VIIa, wherein B is a monocyclic or bicyclic carbocyclic or heterocyclic ring, D is a monocyclic or bicyclic carbocyclic or heterocyclic ring except when A is a heterocyclic ring, then D is a heterocyclic ring system, R is hydrogen or C 1-4 alkyl, and A, R 1 , R 2 and R 4 are as defined in the specification.

  具有(I)式的化合物作为IMPDH酶和/或丝氨酸蛋白酶因子VIIa的抑制剂具有有效性，其中B是单环或双环碳环或杂环，D是单环或双环碳环或杂环，除非A是杂环，那么D就是杂环系统，R是氢或C1-4烷基，A、R1、R2和R4如规范中定义。
• Amide and diamide inhibitors of IMPDH enzyme for use in treating IMPDH-associated disorders
  申请人：Bristol-Myers Squibb Company

  公开号：US06624184B1

  公开（公告）日：2003-09-23

  The present invention discloses the identification of the inhibitors of IMPDH (inosine-5′-monophosphate dehydrogenase). The compounds and pharmaceutical compositions disclosed herein are useful in treating or preventing IMPDH associated disorders, such as transplant rejection and autoimmune diseases.

  本发明揭示了IMPDH（次黄嘌呤-5'-单磷酸脱氢酶）抑制剂的识别。本文披露的化合物和药物组合物在治疗或预防与IMPDH相关的疾病方面具有用途，例如移植排斥和自身免疫疾病。