guaiacol-5-sulfonic acid | 879-98-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: guaiacol-5-sulfonic acid
• 英文别名: 3-hydroxy-4-methoxybenzenesulfonic acid；2-Hydroxy-1-methoxy-benzol-4-sulfonsaeure；3(or 4)-hydroxy-4(or 3)-methoxy-benzenesulfonic acid；3-Hydroxy-4-methoxy-benzolsulfonsaeure；2-Oxy-1-methoxy-benzol-sulfonsaeure-(4)；hoeherschmelzende Guajacolsulfonsaeure
• CAS: 879-98-1
• 化学式: C₇H₈O₅S
• 分子量: 204.204
• InChiKey: PFXZMBNHLUZPPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  92.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  guaiacol-5-sulfonic acid 生成 4-磺基邻苯二酚
  参考文献：
  名称：

  Paul, Chemische Berichte, 1906, vol. 39, p. 4094

  摘要：

  DOI：
• 作为产物：
  描述：

  愈创木酚碳酸酯 在 硫酸 作用下， 生成 guaiacol-5-sulfonic acid
  参考文献：
  名称：

  DE212389

  摘要：

  公开号：

文献信息

• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES
  申请人：Arvinas, Inc.

  公开号：US20190151295A1

  公开（公告）日：2019-05-23

  The present disclosure relates to bifunctional compounds, which find utility as modulators of Interleukin-1 Receptor-Associated Kinase 4 (IRAK-4); the target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a Von Hppel-Lindau, cereblon, ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为白细胞介素-1受体相关激酶4（IRAK-4；目标蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端结合E3泛素连接酶的Von Hppel-Lindau、cereblon配体的双功能化合物，另一端结合目标蛋白的部分，使得目标蛋白靠近泛素连接酶以实现目标蛋白的降解（和抑制）。本公开展示了与目标蛋白的降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由目标蛋白聚集或积累导致的疾病或紊乱。
• [EN] C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR DE GLUCOCORTICOÏDE SUBSTITUÉS EN C20-C21
  申请人：SCHERING CORP

  公开号：WO2009085879A2

  公开（公告）日：2009-07-09

  The present invention provides compounds of Formula (I), and pharmaceutically acceptable salts, solvates, esters, prodrugs, tautomers, or isomers of said compounds), having general structure (I); wherein L, R1, R2, R3, R4, R5, and R6 are selected independently of each other and as defined herein. The present invention also provides compounds (and salts, solvates, esters, prodrugs, tautomers, and isomers) of Formulas II, III, IV, V, and Vl, as defined herein. Also provided are pharmaceutical compositions, methods of preparing, and methods of using such compounds in the treatment and prophylaxis of a wide range of immune, autoimmune, and inflammatory diseases and conditions.

  本发明提供了具有一般结构（I）的化合物，以及该化合物的药用盐、溶剂合物、酯、前药、互变体或异构体（包括L、R1、R2、R3、R4、R5和R6在内独立选择的定义）。本发明还提供了根据本文所定义的化合物（和盐、溶剂合物、酯、前药、互变体和异构体）的II、III、IV、V和VI式化合物。还提供了药物组合物、制备方法以及利用这些化合物在治疗和预防各种免疫、自身免疫和炎症性疾病和症状中的方法。
• Sulfonation and sulfation on reaction of 1,2-dihydroxybenzene and its methyl ethers in concentrated aqueous sulfuric acid
  作者：Hans Cerfontain、Norbert J. Coenjaarts、Ankie Koeberg-Telder

  DOI：10.1002/recl.19881070405

  日期：——

  The homogeneous sulfonation of 1,2-dihydroxybenzene (1), its monomethyl (2) and dimethyl ether (3) in concentrated aqueous sulfuric acid at 25°C has been studied and isomer distributions, as well as rate coefficients for the sulfonation of 1–3 and their monosulfonic acids, have been determined. In 73.5-87.5% H2SO4, 1 yields the 3- and 4-sulfonic acids in a ratio of 25:75, 2 yields the 4-, 5- and 6-sulfonic

  研究了1,2-二羟基苯（1），其单甲基（2）和二甲醚（3）在浓硫酸中在25°C下的均相磺化反应，并研究了异构体分布以及磺化1的速率系数已测定–3及其一磺酸。在73.5-87.5％H 2 SO 4中，1生成比例为25:75的3-和4-磺酸，2生成比例为46:36:18的4-，5-和6-磺酸。在73.5％的H 2 SO 4和87.5％50:39:11ħ 2 SO 4，而3仅产生4-磺酸。根据反应物的构象异构体讨论了2-甲氧基底物2和3中3-磺酸（<2％）的显着缺乏。在硫酸> 87.5％H 2 SO 4，对-4-磺酸1和的5-磺酸2是存在于在其硫酸氢盐形式的一部分。在该酸性区域，的3-和4-锍酸1既得到3,5-二磺酸，的4-和6-磺酸2都得到-4,6-二磺酸和4-磺酸的3主要产生具有一些4,5-二磺酸的4,6-在一起。
• Process for preparing acrylate compound
  申请人：TOSOH CORPORATION

  公开号：US20030139613A1

  公开（公告）日：2003-07-24

  An acrylate compound of formula (4): 1 is produced by allowing an acrylic acid compound of formula (1): 2 to react with an unsaturated compound of formula (2) or (3): 3 In formulae (1) through (4), R 1 and R 2 are H or F, R 3 is H, F, or an alkyl, alkenyl, fluoroalkyl or fluoroalkenyl group, R 4 and R 5 are H, halogen, or an alkyl, alkenyl, halogenated alkyl or halogenated alkenyl group; and X and Y are an unsubstituted or substituted hydrocarbon group, and dashed line - - - - - means that X and Y may be bonded together to form a cyclic structure.

  通过让化学式（1）：2的丙烯酸化合物与化学式（2）或（3）：3的不饱和化合物发生反应，可以制备出化学式（4）：1的丙烯酸酯化合物。在化学式（1）到（4）中，R1和R2为H或F，R3为H、F或烷基、烯基、氟烷基或氟烯基基团，R4和R5为H、卤素或烷基、烯基、卤代烷基或卤代烯基基团；X和Y为未取代或取代的碳氢基团，虚线- - - - - 表示X和Y可以连接在一起形成环状结构。
• Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds
  申请人：Arimilli N. Murty

  公开号：US20070010489A1

  公开（公告）日：2007-01-11

  Phosphonate substituted compounds with HIV protease inhibitory properties having use as therapeutics and for other industrial purposes are disclosed. The compositions inhibit 5 HIV protease activity and/or are useful therapeutically for the treatment of AIDS and other antiviral infections, as well as in assays for the detection of HIV protease.

  本发明揭示了具有HIV蛋白酶抑制剂性质的膦酸酯取代化合物，其具有作为治疗剂和其他工业用途的用途。该组合物抑制5型HIV蛋白酶活性和/或在治疗艾滋病和其他抗病毒感染方面具有治疗作用，以及在检测HIV蛋白酶方面的检测中有用。