2,2'-dithiobis(5-methoxybenzoic acid) | 19532-69-5

• 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: 2,2'-dithiobis(5-methoxybenzoic acid)
• 英文别名: 5-methoxydithiosalicylic acid；5,5'-dimethoxy-2,2'-disulfanediyl-bis-benzoic acid；2,2'-dithiobis[5-methoxybenzoic acid]；5-methoxydithiosalicilic acid；Bis-(2-carbossi-4-metossifenil)disolfuro；2-[(2-carboxy-4-methoxyphenyl)disulfanyl]-5-methoxybenzoic acid
• CAS: 19532-69-5
• 化学式: C₁₆H₁₄O₆S₂
• 分子量: 366.416
• InChiKey: ZJLOCZITRJGCBN-UHFFFAOYSA-N

物化性质

• 熔点：
  298-299 °C
• 沸点：
  560.8±50.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,2'-dithiobis(5-methoxybenzoic acid) 在 铜 、 potassium carbonate 、 溶剂黄146 、 锌 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 2-<(3-chlorophenyl)thio>-5-methoxybenzoic acid
  参考文献：
  名称：

  Analogs of hycanthone and lucanthone as antitumor agents

  摘要：

  Hycanthone analogues (5 and 6) containing 7-substituted hydroxyl groups were prepared and evaluated as antitumor agents. These compounds were significantly more active than the corresponding unsubstituted derivatives. The 7-hydroxylated 4-(hydroxymethyl)-9H-xanthen-9-ones, 11 and 12, were also active antitumor agents. However, the 7-hydroxy-9H-xanthen-9-one counterparts of the 7-hydroxylucanthones were totally devoid of antitumor activity. Results obtained thus far are consistent with the hypothesis that 4-hydroxymethyl substituents in the 9H-xanthen-9-one and 9H-thioxanthen-9-one series are required for antitumor activity.

  DOI：

  10.1021/jm00363a007
• 作为产物：
  描述：

  2-氨基-5-甲氧基苯甲酸 以80的产率得到2,2'-dithiobis(5-methoxybenzoic acid)
  参考文献：
  名称：

  Novel agents for preventing and treating disorders involving modulation of the RyR receptors

  摘要：

  本发明提供了式I的新化合物及其盐、水合物、溶剂合物、配合物和前药。本发明还提供了合成式I化合物的方法。此外，本发明还提供了包含式I化合物的制药组合物和使用该制药组合物治疗和预防与细胞中调节钙离子通道功能的RyR受体相关的疾病和疾病的方法。这些疾病和疾病包括，例如，心脏疾病和疾病，骨骼肌疾病和疾病，认知障碍和疾病，恶性高热，糖尿病和婴儿猝死综合征。心脏疾病和疾病包括但不限于心律不齐疾病和疾病；运动引起的心律不齐疾病和疾病；猝死；运动引起的猝死；充血性心力衰竭；慢性阻塞性肺疾病；高血压。心律不齐疾病和疾病包括运动引起的心律不齐疾病和疾病，但不限于心房和心室心律失常；心房和心室颤动；心房和心室快速心律失常；心房和心室快速心跳；儿茶酚胺多形性心室心动过速（CPVT）；及其运动引起的变异。骨骼肌疾病和疾病包括但不限于骨骼肌疲劳，运动引起的骨骼肌疲劳，肌萎缩症，膀胱疾病和失禁。认知障碍和疾病包括但不限于阿尔茨海默病，记忆丧失的形式和年龄相关的记忆丧失。

  公开号：

  US20070049572A1

文献信息

• Novel anti-arrhythmic and heart failure drugs that target the leak in the ryanodine receptor (RyR2) and uses thereof
  申请人：Marks R. Andrew

  公开号：US20050215540A1

  公开（公告）日：2005-09-29

  The present invention provides methods for limiting or preventing a decrease in the level of RyR2-bound FKBP12.6 in a subject. The present invention further provides methods for treating and preventing atrial and ventricular cardiac arrhythmias, heart failure, and exercise-induced sudden cardiac death in a subject. Additionally, the present invention provides use of JTV-519 in a method for limiting or preventing a decrease in the level of RyR2-bound FKBP12.6 in a subject who has, or is a candidate for, atrial fibrillation. Also provided are uses of 1,4-benzothiazepine derivatives in methods for treating and preventing atrial and ventricular cardiac arrhythmias and heart failure in a subject, and for preventing exercise-induced sudden cardiac death. The present invention also provides methods for identifying agents for use in treating and preventing atrial fibrillation and heart failure, and agents identified by these methods.

  本发明提供了限制或预防受试者中RyR2结合FKBP12.6水平下降的方法。本发明进一步提供了治疗和预防受试者中心房和心室心律失常、心力衰竭以及运动诱发的突发性心脏死亡的方法。此外，本发明提供了在限制或预防受试者中RyR2结合FKBP12.6水平下降的方法中使用JTV-519的用途，该受试者患有或有可能患上心房颤动。还提供了1,4-苯并噻唑啉衍生物在治疗和预防受试者中心房和心室心律失常以及心力衰竭，以及预防运动诱发的突发性心脏死亡的方法中的用途。本发明还提供了用于识别用于治疗和预防心房颤动和心力衰竭的药剂的方法，以及通过这些方法识别的药剂。
• Isothiazolones
  申请人：Warner-Lambert Company

  公开号：US05620997A1

  公开（公告）日：1997-04-15

  Isothiazolones having the general structure ##STR1## where A is a monocyclic or bicyclic ring which may contain up to 3 heteroatoms selected from O, S, and N; R.sup.1 and R.sup.2 are substituent groups such as alkyl, alkoxy, hydroxy, nitro, cyano, amino, and carboxy; and R.sup.5 is alkyl, cycloalkyl, phenyl, and Het. The isothiazolones are useful as anti-retroviral agents, anti-inflammatory agents, and anti-atherosclerotic agents.

  异噻唑酮具有一般结构##STR1##其中A是一个可以包含最多3个来自O、S和N的杂原子的单环或双环环；R.sup.1和R.sup.2是取代基，如烷基、烷氧基、羟基、硝基、氰基、氨基和羧基；R.sup.5是烷基、环烷基、苯基和Het。异噻唑酮可用作抗逆转录病毒药物、抗炎药物和抗动脉粥样硬化药物。
• [EN] HDAC INHIBITORS<br/>[FR] INHIBITEURS DE HDAC
  申请人：LIXTE BIOTECHNOLOGY HOLDINGS I

  公开号：WO2009045440A1

  公开（公告）日：2009-04-09

  This invention provides the compound having the structure wherein n is 1- 10; X is C-R11 or N, wherein R11 is H, OH, SH, F, Cl, SO2R7, NO2, trifluoromethyl, methoxy, or CO-R7, wherein R7 is alkyl, alkenyl, alkynyl, C3-C8 cycloalkyl, or aryl; R2 is H or NR3R4, wherein R3 and R4 are each independently H, C1-C6 alkyl, or C3-C8 cycloalkyl; R5 is OH or SH; and R6, RI2A RI3, and R14 are each independently H, OH, SH, F, CI, SO2R15, NO2, trifluoromethyl, methoxy, or CO-R15, wherein R15 is alkyl, alkenyl, alkynyl, C3-C8 cycloalkyl, or aryl, or a salt of the compound, which is useful in the treatment of tumors.

  这项发明提供了具有以下结构的化合物，其中n为1-10；X为C-R11或N，其中R11为H、OH、SH、F、Cl、SO2R7、NO2、三氟甲基、甲氧基或CO-R7，其中R7为烷基、烯基、炔基、C3-C8环烷基或芳基；R2为H或NR3R4，其中R3和R4分别独立为H、C1-C6烷基或C3-C8环烷基；R5为OH或SH；而R6、RI2A、RI3和R14分别独立为H、OH、SH、F、Cl、SO2R15、NO2、三氟甲基、甲氧基或CO-R15，其中R15为烷基、烯基、炔基、C3-C8环烷基或芳基，或者为该化合物的盐，用于治疗肿瘤。
• [EN] COMPOUNDS AND METHODS FOR MODULATING ACTIVITY OF CALCIUM RELEASE CHANNELS<br/>[FR] COMPOSÉS ET PROCÉDÉS DE MODULATION DE L'ACTIVITÉ DES CANAUX DE LIBÉRATION DE CALCIUM
  申请人：OREGON STATE

  公开号：WO2010120382A1

  公开（公告）日：2010-10-21

  The present teachings provide compounds of Formulae I and II: and and pharmaceutically acceptable salts, hydrates, complexes, esters, and prodrugs thereof, wherein R1, R1', R2, R2', R3, R3', and X are as defined herein. The present teachings also provide methods of making the compounds of formulae I and II, and methods of treating RyR-associated conditions, disorders, and diseases that include administering a therapeutically effective amount of a compound of formula I or II to a subject in need thereof. In addition, the present teachings relate to methods of reducing the open probability of a ryanodine receptor, and methods of reducing Ca2+ release across a ryanodine receptor (e.g., into the cytoplasm of a cell), by contacting a compound of formula I or II with a ryanodine receptor.

  本教学提供了Formulae I和II的化合物：以及其在药用上可接受的盐、水合物、络合物、酯和前药，其中R1、R1'、R2、R2'、R3、R3'和X的定义如本文所述。本教学还提供了制备Formulae I和II的化合物的方法，以及治疗与RyR相关的病症、紊乱和疾病的方法，包括向需要的受试者施用Formula I或II的化合物的治疗有效量。此外，本教学还涉及减少Ryanodine受体的开放概率的方法，以及通过与Ryanodine受体接触Formula I或II的化合物来减少Ca2+释放跨越Ryanodine受体（例如，进入细胞的细胞质）的方法。
• Probing Mercaptobenzamides as HIV Inactivators via Nucleocapsid Protein 7
  作者：Mrinmoy Saha、Michael T. Scerba、Nathaniel I. Shank、Tracy L. Hartman、Caitlin A. Buchholz、Robert W. Buckheit、Stewart R. Durell、Daniel H. Appella

  DOI：10.1002/cmdc.201700141

  日期：2017.5.22

  significant challenge. In this study, a series of novel 2-mercaptobenzamide prodrugs were investigated for anti-HIV activity in the context of NCp7 inactivation. The molecules were synthesized from the corresponding thiosalicylic acids, and they are all crystalline solids and stable at room temperature. Derivatives with a range of amide side chains and aromatic substituents were synthesized and screened

  人免疫缺陷病毒1型（HIV-1）核衣壳蛋白7（NCp7）是锌指蛋白，在病毒复制和成熟中起关键作用，并且是药物开发的有吸引力的靶标。但是，抑制NCp7的药物样分子的开发一直是一项重大挑战。在这项研究中，研究了一系列新型的2-巯基苯甲酰胺前药在NCp7失活的情况下的抗HIV活性。这些分子是由相应的硫代水杨酸合成的，它们都是结晶固体，在室温下稳定。合成了具有一系列酰胺侧链和芳族取代基的衍生物，并筛选了抗HIV活性。观察到广泛的抗病毒活性，根据芳香环和侧链上取代基的细微变化，IC5​​0值范围为1至100μm。这些结构-活性关系的结果适合细胞内激活和与NCp7相互作用的可能模式，以解释抗病毒活性的变化。我们生产一系列巯基苯甲酰胺前药的策略代表了制备可筛选抗HIV活性文库的总体新方向。