N-nitrobenzamide | 86650-57-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-nitrobenzamide
• CAS: 86650-57-9
• 化学式: C₇H₆N₂O₃
• 分子量: 166.136
• InChiKey: PCDOBTHDMDMWGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-nitrobenzamide 在 硫酸 作用下， 以 水 为溶剂， 生成 苯甲酸
  参考文献：
  名称：

  Drozdova, O. A.; Astrat'ev, A. A.; Kuznetsov, L. L., Journal of Organic Chemistry USSR (English Translation), 1983, vol. 19, # 4, p. 675 - 680

  摘要：

  DOI：
• 作为产物：
  描述：

  苯甲酰氯 在 ammonium hydroxide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-nitrobenzamide
  参考文献：
  名称：

  在无催化剂条件下，通过C（O）-N键裂解从酰胺和格氏试剂化学选择性合成芳基酮。

  摘要：

  使用格氏试剂，通过化学选择性的C（O）-N键裂解，可将多种N-Boc酰胺转化为芳基酮。反应在无催化剂的条件下用不同的芳基，烷基和炔基格氏试剂进行。α-酮酰胺已成功转化为芳基二酮，而α，β-不饱和酰胺经过1,4-加成，然后经C（O）-N键裂解，得到二芳基丙酮。N-Boc酰胺比使用格氏试剂的Weinreb酰胺具​​有更高的反应性。广泛的底物范围，优异的产率和快速的转化是该方法的重要特征。

  DOI：

  10.1021/acs.joc.9b01699

文献信息

• COX-2-targeted imaging agents
  申请人：Marnett J. Lawrence

  公开号：US20050002859A1

  公开（公告）日：2005-01-06

  The presently disclosed subject matter provides a method for synthesizing a radiological imaging agent by reacting a COX-2-selective ligand with a compound comprising a detectable group, wherein the COX-2-selective ligand is a derivative of a non-steroidal anti-inflammatory drug (NSAID) comprising an ester moiety or a secondary amide moiety. Also provided are compositions that are synthesized using the method, as well as methods of using the compositions of the presently disclosed subject matter.

  目前公开的主题提供了一种合成放射性成像试剂的方法，通过将COX-2选择性配体与含有可检测基团的化合物反应，其中COX-2选择性配体是非甾体抗炎药（NSAID）的衍生物，包括酯基或二级酰胺基团。还提供了使用该方法合成的组合物，以及使用目前公开的主题的组合物的方法。
• [EN] 1,4-DISUBSTITUTED ISOQUINILONE DERIVATIVES AS RAF-KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES<br/>[FR] DERIVES D'ISOQUINILONE 1,4-DISUBSTITUES EN TANT QU'INHIBITEURS DE RAF-KINASE UTILES POUR LE TRAITEMENT DE MALADIES PROLIFERANTES
  申请人：NOVARTIS AG

  公开号：WO2005028444A1

  公开（公告）日：2005-03-31

  This invention relates to compounds of formula (I) wherein the variable substituents are described herein. The compounds are useful for the treatment of conditions and diseases characterized by an aberrant MAP kinase signaling pathway, such as cancer.

  本发明涉及式（I）化合物，其中变量取代基在本文中描述。这些化合物可用于治疗由异常的MAP激酶信号通路引起的疾病和症状，如癌症。
• Pharmaceutical composition and method of treating cancer
  申请人：King Abdulaziz University

  公开号：US10844022B1

  公开（公告）日：2020-11-24

  Cytotoxic compounds containing a phenyl core, amide link(s), an imidazolinone or a propenamide moiety. Also described are pharmaceutical compositions incorporating the cytotoxic compounds and methods for treating cancer. These compounds are cytotoxic against breast, prostate, and leukemia cancer cell lines via dual inhibition of Src kinases and tubulin.

  含有苯基核、酰胺键、咪唑啉酮或丙烯酰胺基团的细胞毒性化合物。还描述了包含这些细胞毒性化合物的药物组合物以及治疗癌症的方法。这些化合物通过对Src激酶和微管的双重抑制作用对乳腺癌、前列腺癌和白血病细胞系具有细胞毒性。
• Phthalazine derivatives for treating inflammatory diseases
  申请人：——

  公开号：US20030013718A1

  公开（公告）日：2003-01-16

  The invention relates to the treatment of an inflammatory disease, especially an inflammatory rheumatoid or rheumatic disease, and/or pain with an inhibitor of the activity of VEGF receptor tyrosine kinase of the formula I, 1 wherein r is 0 to 2, n is 0 to 3 R 1 and R 2 a) are independently in each case a lower alkyl; b) together form a bridge of subformula I*, 2 wherein the bond is achieved via the two terminal C atoms and m is 0 to 4, or c) together form a bridge of subformula I**, 3 wherein one or two of the ring members T 1 , T 2 , T 3 and T 4 are nitrogen, and the others are in each case CH, and the bond is achieved via atoms T 1 and T 4 ; G is —C(═O)—, —CHF—, —CF 2 —, lower alkylene, C 2 -C 6 alkenylene, lower alkylene or C 3 -C 6 alkenylene substituted by acyloxy or hydroxy, —CH 2 —O—, —CH 2 —S—, —CH 2 —NH—, —CH 2 —O—CH 2 —, —CH 2 —S—CH 2 —, —CH 2 —NH—CH 2 —, oxa (—O—), thia (—S—), imino (—NH—), —CH 2 —O—CH 2 —, —CH 2 —S—CH 2 — or —CH 2 —NH—CH 2 —; A, B, D, E and T are independently N or CH subject to the proviso that at least one and not more than three of these radicals are N; Q is lower alkyl, lower alkoxy or halogen; R a and R a ′ are each independently H or lower alkyl; X is imino, oxa, or thia; Y is hydrogen, aryl, heteroaryl, or unsubstituted or substituted cycloalkyl; and Z is mono- or disubstituted amino, halogen, alkyl, substituted alkyl, hydroxy, etherified or esterified hydroxy, nitro, cyano, carboxy, esterified carboxy, alkanoyl, carbamoyl, N-mono- or N,N-disubstituted carbamoyl, amidino, guanidino, mercapto, sulfo, phenylthio, phenyl lower alkylthio, alkylphenylthio, phenylsulfinyl, phenyl-lower alkylsulfinyl, alkylphenylsulfinyl, phenylsulfonyl, phenyl-lower alkylsulfonyl, alkylphenylsulfonyl, or (alternatively or, in a broader aspect of the invention, in addition) selected from the group consisting of ureido, halo-lower alkylthio, halo-lower alkansulfonyl, pyrazolyl, lower-alkyl pyrazolyl and C 2 -C 7 alkenyl; wherein—if more than 1 radical Z (m≧2) is present—the substituents Z are selected independently from each other; and wherein the bonds characterized in subformula I* by a wavy line are either single or double bonds; or an N-oxide of said compound, wherein 1 or more N atoms carry an oxygen atom; or a pharmaceutically acceptable salt thereof; as well as to new phthalazine derivatives; processes for the preparation thereof; the application thereof in a process for the treatment of the human or animal body; the use thereof for the treatment of a disease, especially a disease caused by ocular neovascularisation, such as age-related macula degeneration or diabetic retinopathy, or other diseases that respond to the inhibition of tyrosine kinases, such as a proliferative disease; a method for the treatment of such disease in mammals; and the use of such a compound for the manufacture of a pharmaceutical preparation for the treatment especially of a disease as mentioned above.

  该发明涉及治疗炎症性疾病，特别是炎症性风湿性或风湿性疾病，以及/或疼痛的方法，该方法使用公式I,1中VEGF受体酪氨酸激酶活性抑制剂，其中r为0至2，n为0至3，R1和R2a）各自独立地为较低的烷基；b）共同形成亚式I*，2的桥，其中通过两个末端C原子实现键合，m为0至4；或c）共同形成亚式I**，3的桥，其中环成员T1、T2、T3和T4中的一个或两个是氮，其他各自为CH，通过原子T1和T4实现键合；G为—C(═O)—、—CHF—、—CF2—、较低烷基、C2-C6烯基、被乙酰氧基或羟基取代的较低烷基或C3-C6烯基、—CH2—O—、—CH2—S—、—CH2—NH—、—CH2—O—CH2—、—CH2—S—CH2—、—CH2—NH—CH2—、氧杂环（—O—）、硫杂环（—S—）、亚胺（—NH—）、—CH2—O—CH2—、—CH2—S—CH2—或—CH2—NH—CH2—；A、B、D、E和T各自独立地为N或CH，但至少一个且不超过三个为N；Q为较低烷基、较低烷氧基或卤素；Ra和Ra′各自独立地为H或较低烷基；X为亚胺、氧杂环或硫杂环；Y为氢、芳基、杂环芳基或未取代或取代的环烷基；Z为单取代或双取代的氨基、卤素、烷基、取代烷基、羟基、醚化或酯化的羟基、硝基、氰基、酯化的羧基、烷酰基、氨基甲酰基、N-单取代或N,N-双取代的氨基甲酰基、胍基、胍二氨基基、巯基、磺基、苯硫基、苯较低烷基硫基、烷基苯硫基、苯磺基、苯较低烷基磺基、烷基苯磺基，或（或者，根据该发明的更广泛方面，此外）从尿素基、卤代较低烷硫基、卤代较低烷磺基、吡唑基、较低烷基吡唑基和C2-C7烯基中选择；其中——如果存在多于1个基Z（m≥2），那么取代基Z彼此独立选择；在亚式I*中由波浪线表示的键要么是单键，要么是双键；或者是所述化合物的N-氧化物，其中1个或多个N原子携带氧原子；或其药学上可接受的盐；以及新的邻苯二氮䓬基衍生物；其制备方法；在用于治疗人体或动物体的方法中的应用；用于治疗疾病的用途，特别是由眼部新生血管形成引起的疾病，如老年性黄斑变性或糖尿病性视网膜病变，或对酪氨酸激酶抑制有反应的其他疾病，如增生性疾病；哺乳动物中治疗此类疾病的方法；以及用这种化合物制备药物制剂，特别是用于治疗上述疾病的制剂。
• Isoquinoline derivatives with angiogenesis inhibiting activity
  申请人：——

  公开号：US20020010181A1

  公开（公告）日：2002-01-24

  The invention relates to compounds of formula I 1 wherein r is from 0 to 2; n is from 0 to 2; m is from 0 to 4; A, B, D and E are each independently of the others N or CH, with the proviso that not more than two of those radicals are N; G is lower alkylene, —CH 2 —O—, —CH 2 —S—, —CH 2 —NH—, oxa (—O—), thia (—S—) or imino (—NH—), or is lower alkylene substituted by acyloxy or by hydroxy; Q is lower alkyl, especially methyl; R is H or lower alkyl; X is imino, oxa or thia; Y is lower alkyl or, especially, aryl, heteroaryl or unsubstituted or substituted cycloalkyl; and Z is amino, mono- or di-substituted amino, halogen, alkyl, substituted alkyl, hydroxy, etherified or esterified hydroxy, nitro, cyano, carboxy, esterified carboxy, alkanoyl, carbamoyl, N-mono- or N,N-di-substituted carbamoyl, amidino, guanidino, mercapto, sulfo, phenylthio, phenyl-lower alkylthio, alkylphenylthio, phenylsulfinyl, phenyl-lower alkylsulfinyl, alkylphenyl-sulfinyl, phenylsulfonyl, phenyl-lower alkanesulfonyl or alkylphenylsulfonyl, and where, if more than one radical Z is present (m≧4), the substituents Z are identical or different; and wherein the bonds indicated by a wavy line are either single bonds or double bonds; or an N-oxide of the mentioned compound, wherein one or more N atoms carry an oxygen atom; or a salt thereof. The compounds inhibit especially angiogenesis.

  该发明涉及公式I1的化合物，其中r取值范围为0至2；n取值范围为0至2；m取值范围为0至4；A、B、D和E分别独立于他者为N或CH，条件是这些基团中不超过两个为N；G为低碳链，-CH2-O-，-CH2-S-，-CH2-NH-，氧杂环（-O-），硫杂环（-S-）或亚胺基（-NH-），或者是被酰氧基或羟基取代的低碳链；Q为低烷基，特别是甲基；R为H或低烷基；X为亚胺基，氧杂环或硫杂环；Y为低烷基或者特别是芳基、杂芳基或未取代或取代的环烷基；Z为氨基，单取代或双取代氨基，卤素，烷基，取代烷基，羟基，醚化或酯化羟基，硝基，氰基，羧基，酯化羧基，烷酰基，氨基甲酰基，N-单取代或N,N-二取代氨基甲酰基，酰胺基，胍基，巯基，磺基，苯硫基，苯-低烷基硫基，烷基苯硫基，苯亚砜基，苯-低烷基亚砜基，烷基苯亚砜基，苯砜基，苯-低碳烷基砜基或烷基苯砜基，其中，如果存在多个基团Z（m≥4），取代基Z相同或不同；所示波浪线表示的键为单键或双键；或者所述化合物的N-氧化物，其中一个或多个N原子携带一个氧原子；或者其盐。这些化合物特别抑制血管生成。