2.4-Dinitro-diphenylamin-4'-sulfonsaeure | 6199-85-5

• 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: 2.4-Dinitro-diphenylamin-4'-sulfonsaeure
• 英文别名: N-(2,4-dinitro-phenyl)-sulfanilic acid；N-(2,4-Dinitro-phenyl)-sulfanilsaeure；2'.4'-Dinitro-diphenylamin-sulfonsaeure-(4)；Benzenesulfonic acid, 4-(2,4-dinitroanilino)-；4-(2,4-dinitroanilino)benzenesulfonic acid
• CAS: 6199-85-5
• 化学式: C₁₂H₉N₃O₇S
• 分子量: 339.285
• InChiKey: LWSGUOHHGMFBNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  166
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2.4-Dinitro-diphenylamin-4'-sulfonsaeure 生成 N-(2,4-diamino-phenyl)-sulfanilic acid
  参考文献：
  名称：

  DE163645

  摘要：

  公开号：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硝酸 、 溶剂黄146 作用下， 生成 2.4-Dinitro-diphenylamin-4'-sulfonsaeure
  参考文献：
  名称：

  Dziewonski; Russocki, Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, 1929, vol. , p. 506,521

  摘要：

  DOI：

文献信息

• Proteasome inhibitors and methods of using the same
  申请人：Bernardini Raffaella

  公开号：US20060189806A1

  公开（公告）日：2006-08-24

  The present invention provides boronic acid compounds, boronic esters, and compositions thereof that can modulate apoptosis such as by inhibition of proteasome activity. The compounds and compositions can be used in methods of inducing apoptosis and treating diseases such as cancer and other disorders associated directly or indirectly with proteasome activity.

  本发明提供了硼酸化合物、硼酸酯及其组合物，可以调节细胞凋亡，例如通过抑制蛋白酶体活性。这些化合物和组合物可用于诱导细胞凋亡和治疗癌症等疾病，以及与蛋白酶体活性直接或间接相关的其他疾病。
• Bridged-Cyclo-ProTides as Prodrugs of Therapeutic Nucleosides and Nucleotides
  申请人：Zhong Minghong

  公开号：US20150266918A1

  公开（公告）日：2015-09-24

  Provided herein are bridged cyclic phosphates and phosphoramidates (bc-ProTides) of nucleosides, which is a compound, its stereoisomers, isotope-enriched analogues, pharmaceutically acceptable salts, hydrates, solvates, or crystalline or polymorphic forms thereof, with the following structure: These compounds can be used for the treatment of viral infections and/or neoplastic diseases in mammals. By optimizing combinations of Y 2 , Y 3 , R 0 , and M, the cleavability of these compounds as prodrugs can be attuned for different tissue targeting with various functional combinations. Also disclosed are processes and methods for preparation of these compounds.

  本文提供了核苷的桥接环磷酸酯和磷酰胺酯（bc-ProTides），这是一种化合物，包括其立体异构体、同位素富集类似物、药用可接受盐、水合物、溶剂合物，或其结晶或多形式，具有以下结构： 这些化合物可用于治疗哺乳动物的病毒感染和/或肿瘤性疾病。通过优化Y 2 、Y 3 、R 0 和M的组合，这些化合物作为前药的可裂性可以调节以适应不同组织靶向和各种功能组合。还公开了制备这些化合物的过程和方法。
• [EN] PHOSPHORAMIDATE NUCLEOSIDE PRODRUG FOR TREATING VIRAL DISEASES AND CANCER, PROCESSES FOR THEIR PREPARATION AND THEIR USE<br/>[FR] PROMÉDICAMENT NUCLÉOSIDE PHOSPHORAMIDATE DESTINÉ AU TRAITEMENT DES MALADIES VIRALES ET DU CANCER, LEURS PROCÉDÉS DE PRÉPARATION ET LEUR UTILISATION
  申请人：IVACHTCHENKO ALEXANDRE VASILIEVICH

  公开号：WO2018022221A1

  公开（公告）日：2018-02-01

  The present invention pertains to chemotherapeutic agents and their use for treating viral and cancerous diseases. These compounds are inhibitors of HCV NS5B polymerase, HBV DNA polymerase and, HIV-1 reverse transcriptase (RT) inhibitor, and for treatment of hepatitis B and C infection in mammals. These compounds are also of interest for the treatment of cancer. The phosphoramidate nucleoside prodrug of the general formula (1), a stereoisomer, isotope-enriched analogue, pharmaceutically acceptable salt, hydrate, solvate, or crystalline or polymorphic form thereof, formula (1) wherein: Ar is aryl or hetaryl; R1 is H or CH3, R2 is the substituent selected from OCH2CH=CH2, OCH2CH≡CH, OCH2CH2CH2OCH3, formula (2), formula (3) or formula (4), R3 is H or CH3; R4 is OH, OR5, NR6R7; R5 is C1-C4-alkyl; R6 and R7 are not necessarily the same substituents selected from H or CH3, Z = O, or NH; an arrow (→) indicates the place of substituent connection; Nuc is formula (5) or (6); R8 and R9 are not necessarily the same substituents selected from H, F, Cl, CH3 or OH provided when continuous line and its accompanying dotted line ( ) together are the single carbon-carbon (C-C) bond or R8 and R9 are hydrogen provided when continuous line and its accompanying dotted line ( ) together are the double carbon-carbon bond (C=C); R10 is the substituent selected from R10.1- R10.5; R10.1 R10.2 R10.4 R10.5 ; R11 is the substituent selected from H, F, CI, CH3, or CF3; R12 is hydrogen, C1-C4-alkyl or C3-C6-cycloalkyl; X is oxygen or ethanediyl-1,1 (C=CH2); Y is O, S, CH2, or HO-CH group provided when continuous line and its accompanying dotted line (formula 7) together are the single carbon-carbon (C-C) bond or Y is CH group provided when continuous line and its accompanying dotted line (formula 7) together are the double carbon-carbon bond (C=C), and compound of the general formula (1), stereoisomers, isotope-enriched analogues, pharmaceutically acceptable salts, hydrates, solvates, or crystalline or polymorphic forms thereof, wherein: Ar is aryl or hetaryl; R1 is H or CH3; R2 is isopropyl; Nuc is formula (8), (9) or (10).

  本发明涉及化疗药物及其用于治疗病毒性和癌症疾病的用途。这些化合物是HCV NS5B聚合酶、HBV DNA聚合酶和HIV-1逆转录酶（RT）抑制剂，用于治疗哺乳动物中的乙型和丙型肝炎感染。这些化合物也对癌症治疗具有兴趣。通用式（1）的磷酰胺核苷前药的立体异构体、同位素富集类似物、药学上可接受的盐、水合物、溶剂合物或晶体或多形式，式（1）其中：Ar为芳基或杂芳基；R1为H或CH3，R2为从O CH=CH2、O CH≡CH、O O 、式（2）、式（3）或式（4）中选择的取代基，R3为H或 ；R4为OH、OR5、NR6R7；R5为C1-C4-烷基；R6和R7不一定相同，选择自H或 的取代基，Z=O或NH；箭头（→）表示取代基连接的位置；Nuc为式（5）或（6）；R8和R9不一定相同，选择自H、F、Cl、 或OH，提供当连续线及其相应的虚线（）一起为单碳-碳（C-C）键时，或R8和R9为氢，提供当连续线及其相应的虚线（）一起为双碳-碳键（C=C）时；R10为从R10.1-R10.5中选择的取代基；R10.1 R10.2 R10.4 R10.5；R11为从H、F、Cl、 或CF3中选择的取代基；R12为氢、C1-C4-烷基或C3-C6-环烷基；X为氧或乙烯二基-1,1（C= ）；Y为O、S、 或HO-CH基，提供当连续线及其相应的虚线（式7）一起为单碳-碳（C-C）键时，或Y为CH基，提供当连续线及其相应的虚线（式7）一起为双碳-碳键（C=C）时，以及通用式（1）的化合物、立体异构体、同位素富集类似物、药学上可接受的盐、水合物、溶剂合物或晶体或多形式，其中：Ar为芳基或杂芳基；R1为H或 ；R2为异丙基；Nuc为式（8）、（9）或（10）。
• Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods
  申请人：Zhong Minghong

  公开号：US20150376219A1

  公开（公告）日：2015-12-31

  A process of regiospecific synthesis of N-9 purine nucleoside analogs in either solution or solid phase synthesis is described. The introduction of the sugar moiety or its analogue on to a 6-heteroarylium purine or its mesomeric betaine so that formation of only the N-9 position regioisomers of the purine nucleoside analogs (either D or L enantiomers) is obtained. This regiospecific introduction of the sugar moiety allows the synthesis of purine nucleoside analogs in high yields without formation of the N-7-positional regioisomers, while the 6-heteroaryliums are leaving groups facilitated for nucleophilic displacement. Solid supported 6-heterarylium purine bases can be used for purine based library synthesis and synthesis of nucleotide monophosphates and polyphosphates. Processes for providing novel 6-heteroarylium purines and their corresponding mesomeric betaines for the regiospecific synthesis of N-9 purine nucleoside analogs and nucleotides are described.

  描述了一种在溶液或固相合成中合成N-9嘌呤核苷类似物的位置特异性合成过程。将糖基或其类似物引入到6-杂环嘌呤或其共振甲基盐上，从而仅形成嘌呤核苷类似物的N-9位置异构体（D或L对映体）。这种糖基的位置特异性引入允许在高产率下合成嘌呤核苷类似物，而不形成N-7位置异构体，而6-杂环嘌呤是易于亲核置换的离去基团。固相支持的6-杂环嘌呤碱可以用于嘌呤基库合成和核苷酸一磷酸和多磷酸的合成。描述了提供新颖的6-杂环嘌呤及其相应的共振甲基盐以用于N-9嘌呤核苷类似物和核苷酸的位置特异性合成的过程。
• Methods For Selective N-9 Glycosylation of Purines
  申请人：Robins Morris J.

  公开号：US20080207891A1

  公开（公告）日：2008-08-28

  A process for providing regiospecific and highly stereoselective synthesis of 9-β anomeric purine nucleoside analogs is described. The introduction of the sugar moiety on to 6-(azolyl)-substituted purine bases is performed so that highly stereoselective formation of the β anomers of only the 9 position regioisomers of the purine nucleoside analogs (either D or L enantiomers) is obtained. This regiospecific and stereoselective introduction of the sugar moiety allows the synthesis of nucleoside analogs, and in particular 2′-deoxy, 3′-deoxy, 2′-deoxy-2′-halo-arabino and 2′,3′-dideoxy-2′-halo-threo purine nucleoside analogs, in high yields without formation of the 7-positional regioisomers. Processes for providing novel 6-(azolyl)purines for the regiospecific and highly stereoselective synthesis of 9-β anomeric purine nucleoside analogs are described. The compounds are drugs or intermediates to drugs.

  本文描述了一种提供9-β异构嘌呤核苷类似物的区域特异性和高度立体选择性合成的方法。将糖基引入到6-(咪唑基)-取代的嘌呤碱基上，以获得嘌呤核苷类似物的β异构体的高度立体选择性形成（D或L对映体）。这种区域特异性和立体选择性引入糖基的方法，允许高产率地合成核苷类似物，特别是2'-去氧、3'-去氧、2'-去氧-2'-卤代阿拉伯糖和2',3'-二去氧-2'-卤代-threo嘌呤核苷类似物，而不形成7位异构体。本文还描述了提供新型6-(咪唑基)嘌呤用于区域特异性和高度立体选择性合成9-β异构嘌呤核苷类似物的方法。这些化合物是药物或药物中间体。