2,2'-dithiobis(2-methylpropanal) | 15581-80-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 有机二硫化物
• 英文名称: 2,2'-dithiobis(2-methylpropanal)
• 英文别名: 2,2-dithiobis(2-methylpropanal)；2-[(1,1-dimethyl-2-oxoethyl)disulfanyl]-2-methylpropanal；α,α'-dithiobis-isobutyraldehyde；2,2,5,5-tetramethyl-3,4-dithiahexane-1,6-dial；α,α'-dithiodiisobutyraldehyde；2,2'-Dithio-bis(2-methylpropanal)；Propanal, 2,2'-dithiobis[2-methyl-；2-methyl-2-[(2-methyl-1-oxopropan-2-yl)disulfanyl]propanal
• CAS: 15581-80-3
• 化学式: C₈H₁₄O₂S₂
• 分子量: 206.33
• InChiKey: HNGVMXJRVDXZPD-UHFFFAOYSA-N

物化性质

• 沸点：
  100-110 °C(Press: 1 Torr)
• 密度：
  1.125±0.06 g/cm3(Predicted)
• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2'-dithiobis(2-methylpropanal) 在 sodium hydroxide 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 10-[3-(3,3,7,7-Tetramethyl-[1,2,5]dithiazepan-5-yl)-propyl]-10H-phenothiazine
  参考文献：
  名称：

  Synthesis of oxorhenium(V) and oxotechnetium(V) [SN(R)S/S] mixed ligand complexes containing a phenothiazine moiety on the tridentate SN(R)S ligand

  摘要：

  Two oxorhenium and two oxotechnetium [SN(R)S/S] mixed ligand complexes bearing the phenothiazine moiety on the tridentate ligand SN(R)S have been synthesized and characterized. The corresponding complexes at tracer level (Tc-99m) have also been prepared. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00309-2
• 作为产物：
  描述：

  异丁醛 在 二氯化二硫 作用下， 以 四氯化碳 为溶剂， 生成 2,2'-dithiobis(2-methylpropanal)
  参考文献：
  名称：

  双氯芬酸的亚硝基硫醇酯：保留胃肠道的前药的合成和药理学表征。

  摘要：

  尽管其广泛使用，双氯芬酸仍具有非甾体抗炎药（NSAIDs）常见的胃肠道疾病，可通过同时服用胃肠道细胞保护剂（如一氧化氮（NO））来减轻。已合成了一系列含有亚硝基硫醇（-S-NO）部分作为NO供体官能团的新型双氯芬酸酯，并在体内对其生物利用度，药理活性和胃刺激性进行了评估。所有S-NO-双氯芬酸衍生物均作为口服生物可利用的前药，对小鼠口服后15分钟内在血浆中产生大量的双氯芬酸。在等摩尔口服剂量下，S-NO-双氯芬酸衍生物（20a-21b）在角叉菜胶诱发的爪水肿试验和小鼠苯基苯醌诱发的扭体试验中显示出与双氯芬酸相当的大鼠抗炎和镇痛活性。所有测试的S-NO-双氯芬酸衍生物（20a-21b）都是保胃的，与大鼠中等摩尔剂量的双氯芬酸引起的胃损害相比，它们引起的胃损害明显更少。双氯芬酸的亚硝基硫醇酯包含一类新的NO供体化合物，具有作为非甾体类抗炎药的治疗潜力，具有增强的胃安全性。所有测试的S-NO-双

  DOI：

  10.1021/jm000178w

文献信息

• Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use
  申请人：——

  公开号：US20010041726A1

  公开（公告）日：2001-11-15

  The present invention describes novel nitrosated and/or nitrosylated cyclooxygenase 2 (COX-2) inhibitors and novel compositions comprising at least one nitrosated and/or nitrosylated cyclooxygenase 2 (COX-2) inhibitor, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or optionally, at least one therapeutic agent, such as, steroids, nonsteroidal antiinflammatory compounds (NSAID), 5-lipoxygenase (5-LO) inhibitors, leukotriene B 4 (LTB 4 ) receptor antagonists, leukotriene A 4 (LTA 4 ) hydrolase inhibitors, 5-HT agonists, 3-hydroxy-3-methylglutaryl coenzyme A (HMGCoA) inhibitors, H antagonists, antineoplastic agents, antiplatelet agents, decongestants, diuretics, sedating or non-sedating anti-histamines, inducible nitric oxide synthase inhibitors, opioids, analgesics, Helicobacter pylori inhibitors, proton pump inhibitors, isoprostane inhibitors, and mixtures thereof. The present invention also provides novel compositions comprising at least one parent COX-2 inhibitor and at least one nitric oxide donor, and, optionally, at least one therapeutic agent. The present invention also provides kits and methods for treating inflammation, pain and fever; for treating and/or improving the gastrointestinal properties of COX-2 inhibitors; for facilitating wound healing; for treating and/or preventing renal toxicity; and for treating and/or preventing other disorders resulting from elevated levels of cyclooxygenase-2.

  本发明描述了新颖的硝化和/或亚硝化环氧合酶2（COX-2）抑制剂以及包含至少一种硝化和/或亚硝化环氧合酶2（COX-2）抑制剂的新型组合物，以及可选地，至少一种捐赠、转移或释放一氧化氮、刺激内源性一氧化氮合成、提高内源性内皮源性舒张因子水平或是一氧化氮合酶底物的化合物，和/或可选地，至少一种治疗剂，如类固醇、非甾体抗炎化合物（NSAID）、5-脂氧合酶（5-LO）抑制剂、白三烯B4（LTB4）受体拮抗剂、白三烯A4（LTA4）水解酶抑制剂、5-HT激动剂、3-羟基-3-甲基戊二酰辅酶A（HMGCoA）抑制剂、H受体拮抗剂、抗肿瘤药物、抗血小板药物、解充血剂、利尿剂、镇静或非镇静抗组胺药、诱导型一氧化氮合酶抑制剂、阿片类药物、镇痛剂、幽门螺杆菌抑制剂、质子泵抑制剂、异前列腺素抑制剂以及其混合物。本发明还提供了包含至少一种母体COX-2抑制剂和至少一种一氧化氮供体的新型组合物，以及可选地，至少一种治疗剂。本发明还提供了用于治疗炎症、疼痛和发热的工具和方法；用于治疗和/或改善COX-2抑制剂的胃肠道特性；用于促进伤口愈合；用于治疗和/或预防肾毒性；以及用于治疗和/或预防由于环氧合酶-2水平升高而导致的其他疾病的工具和方法。
• [EN] SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE<br/>[FR] COMPOSES SOUFRES EN TANT QU'INHIBITEURS DE LA PROTEASE SERINE NS3 DU VIRUS DE L'HEPATITE C
  申请人：SCHERING CORP

  公开号：WO2005087731A1

  公开（公告）日：2005-09-22

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

  本发明揭示了具有HCV蛋白酶抑制活性的新化合物，以及制备这些化合物的方法。在另一实施例中，本发明揭示了包含这些化合物的药物组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。
• Synthesis and biodistribution of 99mTc-labeled piperidinyl bis(aminoethanethiol) complexes: potential brain perfusion imaging agents for single photon emission computed tomography
  作者：S. M. N. Efange、Hank F. Kung、J. J. Billings、M. Blau

  DOI：10.1021/jm00400a028

  日期：1988.5

  In developing clinically useful 99mTc-labeled radiopharmaceuticals for the evaluation of regional cerebral perfusion with single photon emission computed tomography (SPECT), a number of substituted alkyl(aryl)piperidinyl bis(aminoethanethiol) ligands for chelating [99mTc]TcO(III) were synthesized. Each ligand forms two diastereomers, syn and anti, after reacting with a racemic mixture of the ligand

  在开发临床上有用的99mTc标记的放射性药物以通过单光子发射计算机断层扫描（SPECT）评估局部脑灌注时，合成了许多用于螯合[99mTc] TcO（III）的取代烷基（芳基）哌啶基双（氨基乙硫醇）配体。 。在与配体的外消旋混合物反应后，每个配体形成两个非对映异构体，顺式和反式。通过高压液相色谱分离非对映异构体。在大鼠进行的生物分布研究中，非对映异构体表现出截然不同的大脑摄取值；因此，非对映异构体表现出不同的脑吸收值。然而，当哌啶基部分的C-4位上的取代基的空间体积增加时，这种差异似乎正在减小。此外，所有评估的复合物都无法显示出在大鼠脑中的长期保留，
• Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use
  申请人：NitroMed, Inc.

  公开号：US06297260B1

  公开（公告）日：2001-10-02

  The present invention describes novel nitrosated and/or nitrosylated nonsteroidal antiinflammatory compounds, and novel compositions comprising at least one nitrosated and/or nitrosylated nonsteroidal antiinflammatory compound, and, optionally, at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase. The present invention also provides methods for treating, preventing and/or reducing inflammation, pain, and fever; decreasing or reversing the gastrointestinal, renal and other toxicities resulting from the use of nonsteroidal antiinflammatory drugs; treating and/or preventing gastrointestinal disorders; treating inflammatory disease states and disorders; and treating and/or preventing ophthalmic diseases or disorders.

  本发明描述了新颖的硝化和/或亚硝化非甾体抗炎化合物，以及包含至少一种硝化和/或亚硝化非甾体抗炎化合物的新型组合物，还可以包含至少一种捐赠、转移或释放一氧化氮、提高内源性内皮源性舒张因子水平、刺激内源性一氧化氮合成或是一氧化氮合酶底物的化合物。本发明还提供了治疗、预防和/或减轻炎症、疼痛和发热的方法；减少或逆转使用非甾体抗炎药物导致的胃肠道、肾脏和其他毒性反应；治疗和/或预防胃肠道疾病；治疗炎症性疾病状态和疾病；以及治疗和/或预防眼科疾病或疾病的方法。
• Radioactively Labeled Substance
  申请人：Arano Yasushi

  公开号：US20120065367A1

  公开（公告）日：2012-03-15

  Provided are: a radiolabeled drug, which is efficiently accumulated in a target and has high in vivo stability; and diagnosis and treatment each using the radiolabeled drug. Specifically provided are: a radiolabeled drug showing increased accumulation in a target site, which comprises a complex composed of a ligand that is bound to a compound capable of binding to a target molecule and forms a polycoordinated complex with a metal (e.g., technetium or rhenium) and a radionuclide of the metal; the radiolabeled drug for diagnosis or treatment; a ligand for preparing the radiolabeled drug; a kit that comprises a drug comprising the ligand and a drug comprising a radionuclide of a metal, as separate package units; and a method of increasing accumulation of a radiolabeled drug in a target site, comprising using the above-mentioned radiolabeled drug.

  提供了一种放射标记药物，该药物在靶标中高效积累并具有高体内稳定性；以及使用该放射标记药物进行诊断和治疗。具体提供了以下内容：一种放射标记药物，在靶位点中显示增加积累，包括由与能够结合到靶分子的化合物结合的配体组成的复合物，并与金属（例如锝或铼）形成多配位复合物以及金属的放射性核素；用于诊断或治疗的放射标记药物；用于制备放射标记药物的配体；包括包含配体的药物和包含金属的放射性核素的药物作为单独的包装单元的试剂盒；以及一种增加放射标记药物在靶位点中积累的方法，包括使用上述放射标记药物。