2-硝基对甲苯磺酸 | 65542-35-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 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-硝基对甲苯磺酸
• 英文名称: 3-nitrotoluene-4-sulfonic acid
• 英文别名: 4-methyl-2-nitro-benzenesulfonic acid；3-Nitrotoluol-4-sulfonsaeure；4-methyl-2-nitrobenzenesulfonic acid
• CAS: 65542-35-0
• 化学式: C₇H₇NO₅S
• 分子量: 217.202
• InChiKey: MXGITBULPTZNHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2904909090

反应信息

• 作为反应物：
  描述：

  苯胺 、 2-硝基对甲苯磺酸 生成 aniline;4-methyl-2-nitrobenzenesulfonic acid
  参考文献：
  名称：

  ASAKURA HIDEYUKI; MURAMOTO YOSHIHIRO, =NIXON KAGAKU KAJSI, NIRRON KAGAKU KAISNI, J. CHEM. SOS. JAR., CHEM. AND +

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二硝基甲苯 在 sodium sulfite 作用下， 以 水 为溶剂， 以4%的产率得到2-硝基对甲苯磺酸
  参考文献：
  名称：

  Synthesis of reference substances for highly polar metabolites of nitroaromatic compounds

  摘要：

  Transformation processes of nitroaromatic compounds (NAC) lead to polar and highly hydrophilic metabolites. For the unequivocal identification of proposed metabolites reference substances are needed. Since most of them are not commercially available, their synthesis was done in our group. In many cases no satisfying synthesis schemes were found in the literature. In this communication, we therefore describe the preparation, structural elucidation and separation of 17 compounds. Many of the newly synthesized analytes were found in various water samples from a former ammunition plant, (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0045-6535(98)00518-9

文献信息

• [EN] BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF<br/>[FR] COMPOSÉS DE TYPE CYCLES À PONTS À TITRE D'INHIBITEURS DU VIRUS DE L'HÉPATITE C, COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2014131315A1

  公开（公告）日：2014-09-04

  Provided herein is a compound of formula (I) or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, which can be used for treating HCV infection or a HCV disorder. Also provided herein are a pharmaceutical composition comprising the compound and the use of the compound and the pharmaceutical composition thereof, which can also be used for treating HCV infection or a HCV disorder.

  本文提供的是一种化合物，其化学式为（I）或其立体异构体、几何异构体、互变异构体、N-氧化物、水合物、溶剂合物、代谢物、药用盐或其前药，可用于治疗HCV感染或HCV疾病。本文还提供了包含该化合物的药物组合物以及该化合物及其药物组合物的用途，也可用于治疗HCV感染或HCV疾病。
• Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof
  申请人：SUNSHINE LAKE PHARMA CO., LTD

  公开号：US20150079028A1

  公开（公告）日：2015-03-19

  Provided herein is a compound having Formula (I), or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, which can be used for treating HCV infection or a HCV disorder. Also provided herein are pharmaceutical compositions comprising the compounds disclosed herein, which can be used for treating HCV infection or a HCV disorder.

  提供了一种具有公式(I)的化合物，或其立体异构体、几何异构体、互变异构体、N-氧化物、水合物、溶剂化物、代谢物、药用盐或前药，可用于治疗HCV感染或HCV疾病。还提供了包含本处所述化合物的药物组合物，可用于治疗HCV感染或HCV疾病。
• Novel Sulfonaminoquinoline Hepcidin Antagonists
  申请人：Buhr Wilm

  公开号：US20120214803A1

  公开（公告）日：2012-08-23

  The present invention relates to novel hepcidin antagonists, pharmaceutical compositions comprising them and the use thereof as medicaments for the use in the treatment of iron metabolism disorders, such as, in particular, iron deficiency diseases and anemias, in particular anemias in connection with chronic inflammatory diseases.

  本发明涉及新型肝铁蛋白拮抗剂，包括它们的药物组合物以及将其用作药物治疗铁代谢紊乱，特别是铁缺乏病和贫血等疾病，特别是与慢性炎症性疾病相关的贫血。
• Sulfonaminoquinoline hepcidin antagonists
  申请人：Vifor (International) AG

  公开号：US09102688B2

  公开（公告）日：2015-08-11

  The present invention relates to novel hepcidin antagonists, pharmaceutical compositions comprising them and the use thereof as medicaments for the use in the treatment of iron metabolism disorders, such as, in particular, iron deficiency diseases and anemias, in particular anemias in connection with chronic inflammatory diseases.

  本发明涉及新型的赫普西丁拮抗剂，包括它们的药物组合物和将其作为药物用于治疗铁代谢紊乱的用途，特别是铁缺乏症和贫血，特别是与慢性炎症性疾病相关的贫血。
• Ureylene phenylene anionic naphthalene-sulfonic acids, their use as complement system inhibitors in a body fluid and process for their preparation
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0008154A1

  公开（公告）日：1980-02-20

  The present invention provides novel ureylene phenylene anionic naphthalenesulfonic acids, which have complement-inhibiting properties and which may be represented by the general formula: wherein X and Y are each selected from the group consisting of -CO- and -SO2-; R and R3 are each selected from the group consisting of hydrogen, methyl and -S03A, wherein A is a pharmaceutically acceptable salt cation; R, and R4 are each selected from the group consisting of hydrogen and -COOB. wherein B is selected from the group consisting of hydrogen and a pharmaceutically acceptable salt cation; R2 and Rs are each selected from the group consisting of hydrogen and methyl; with the proviso that R. R,, R2, R3, R4 and R5 may not all be hydrogen; with the second proviso that when X and Y are both -CO- and R2 is methyl, then R, R,, R3, R. and Rs may not all be hydrogen; and with the third proviso that no phenyl moiety can contain both -SO3A and -COOB. The corresponding amine compounds of the formula below are novel intermediates for the novelureylene compounds above:

  本发明提供了具有补体抑制特性的新型脲苯基阴离子萘磺酸，其可由通式表示： 其中 X 和 Y 各自选自由 -CO- 和 -SO2- 组成的组；R 和 R3 各自选自由氢、甲基和 -S03A 组成的组，其中 A 是药学上可接受的阳离子盐；R 和 R4 各自选自由氢和 -COOB 组成的组。其中 B 选自氢和药学上可接受的盐阳离子组成的组；R2 和 Rs 各选自氢和甲基组成的组；但书中 R、R、R2、R3、R4 和 R5 不一定都是氢；第二个但书是当 X 和 Y 都是-CO-且 R2 是甲基时，则 R、R、R3、R.和 Rs 不一定都是氢；第三个但书是任何苯基都不能同时含有-SO3A 和-COOB。 下式中相应的胺化合物是上述新脲烯类化合物的新型中间体：