7-(4,6-Dichloro-[1,3,5]-triazin-2-ylamino)-4-hydroxy-3-(4-methoxy-phenylazo)-napthalene-2-sulfonic acid isopropyl ester | 298679-53-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-(4,6-Dichloro-[1,3,5]-triazin-2-ylamino)-4-hydroxy-3-(4-methoxy-phenylazo)-napthalene-2-sulfonic acid isopropyl ester
• 英文别名: propan-2-yl 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxyphenyl)diazenyl]naphthalene-2-sulfonate
• CAS: 298679-53-5
• 化学式: C₂₃H₂₀Cl₂N₆O₅S
• 分子量: 563.421
• InChiKey: BUHJXKRREFLGOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  157
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  7-(4,6-Dichloro-[1,3,5]-triazin-2-ylamino)-4-hydroxy-3-(4-methoxy-phenylazo)-napthalene-2-sulfonic acid isopropyl ester 在 sodium iodide 作用下， 以 丁酮 为溶剂， 以100%的产率得到7-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
  参考文献：
  名称：

  Effects of a novel arginine methyltransferase inhibitor on T-helper cell cytokine production

  摘要：

  The protein arginine methyltransferase (PRMT) family of enzymes catalyzes the transfer of methyl groups from S‐adenosylmethionine to the guanidino nitrogen atom of peptidylarginine to form monomethylarginine or dimethylarginine. We created several less polar analogs of the specific PRMT inhibitor arginine methylation inhibitor‐1, and one such compound was found to have improved PRMT inhibitory activity over the parent molecule. The newly identified PRMT inhibitor modulated T‐helper‐cell function and thus may serve as a lead for further inhibitors useful for the treatment of immune‐mediated disease.Structured digital abstract MINT‐7710141: Prmt1 (uniprotkb:Q63009) physically interacts (MI:0915) with nip45 (uniprotkb:O09130) by anti tag coimmunoprecipitation (MI:0007) MINT‐7710127: Prmt1 (uniprotkb:Q63009) physically interacts (MI:0915) with Prmt1 (uniprotkb:Q63009) by anti tag coimmunoprecipitation (MI:0007)

  DOI：

  10.1111/j.1742-4658.2010.07623.x
• 作为产物：
  描述：

  7-氨基-4-羟基-2-萘磺酸 在 4-甲基哌啶 、 盐酸 、 碳酸氢钠 、 sodium carbonate 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 甲醇 、 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 7-(4,6-Dichloro-[1,3,5]-triazin-2-ylamino)-4-hydroxy-3-(4-methoxy-phenylazo)-napthalene-2-sulfonic acid isopropyl ester
  参考文献：
  名称：

  Effects of a novel arginine methyltransferase inhibitor on T-helper cell cytokine production

  摘要：

  The protein arginine methyltransferase (PRMT) family of enzymes catalyzes the transfer of methyl groups from S‐adenosylmethionine to the guanidino nitrogen atom of peptidylarginine to form monomethylarginine or dimethylarginine. We created several less polar analogs of the specific PRMT inhibitor arginine methylation inhibitor‐1, and one such compound was found to have improved PRMT inhibitory activity over the parent molecule. The newly identified PRMT inhibitor modulated T‐helper‐cell function and thus may serve as a lead for further inhibitors useful for the treatment of immune‐mediated disease.Structured digital abstract MINT‐7710141: Prmt1 (uniprotkb:Q63009) physically interacts (MI:0915) with nip45 (uniprotkb:O09130) by anti tag coimmunoprecipitation (MI:0007) MINT‐7710127: Prmt1 (uniprotkb:Q63009) physically interacts (MI:0915) with Prmt1 (uniprotkb:Q63009) by anti tag coimmunoprecipitation (MI:0007)

  DOI：

  10.1111/j.1742-4658.2010.07623.x

文献信息

• Aryl sulfonic acids as FSH antagonists
  申请人：American Home Products Corporation

  公开号：US06200963B1

  公开（公告）日：2001-03-13

  wherein: R1 is a moiety selected from: R2 is CH2CH2CONH2 or CH2CH2OH; R3 and R4 are independent substituents selected from the group including H, —N(CH3)2, or —OCH3; or pharmaceutically acceptable salts thereof.

  其中：R1是从以下摹块中选择的一个：R2是CH2CH2CONH2或CH2CH2OH; R3和R4是独立的取代基，选择自包括H，—N（CH3）2或—O 的群体;或其药学上可接受的盐。