2-巯基-2-甲基丙烷-1-醇 | 73303-88-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 中文名称: 2-巯基-2-甲基丙烷-1-醇
• 英文名称: 2-mercapto-2-methylpropan-1-ol
• 英文别名: 2-methyl-2-sulfanylpropan-1-ol；2-mercapto-2-methyl-1-propanol
• CAS: 73303-88-5
• 化学式: C₄H₁₀OS
• mdl: MFCD27928060
• 分子量: 106.189
• InChiKey: DNROCZZBRJKCNN-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于氯仿、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险类别：
  9
• 危险性防范说明：
  P501,P273,P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险品运输编号：
  3334
• 危险性描述：
  H315,H319,H413,H372
• 包装等级：
  III

反应信息

• 作为反应物：
  描述：

  2-巯基-2-甲基丙烷-1-醇 在 三乙胺 、 三氯化磷 作用下， 以 苯 为溶剂， 反应 0.5h， 以20.8%的产率得到2-chloro-4,4-dimethyl-1,3,2-oxathiaphospholane
  参考文献：
  名称：

  Diastereomers of Nucleoside 3'-O-(2-Thio-1,3,2-oxathia(selena)phospholanes): Building Blocks for Stereocontrolled Synthesis of Oligo(nucleoside phosphorothioate)s

  摘要：

  Diastereomerically pure 5'-O-DMT-nucleoside 3'-O-(2-thio-1,3,2-oxathiaphospholanes) (3) and their oxathiaphospholane ring-substituted analogues (20) were used for the synthesis of stereoregular oligo(nucleoside phosphorothioate)s (S-Oligos). The oxathiaphospholane ring-opening condensation requires the presence of strong organic base, preferably DBU. The yield of a single coupling step is ca. 95% and resulting S-Oligos are free of nucleobase- and sugar-phosphorothioate backbone modifications. The diastereomeric purity of products was estimated on the basis of diastereoselective degradation with Nuclease P1 and a mixture of snake venom phosphodiesterase and Serratia marcescens endonuclease. Thermal dissociation studies of heteroduplexes S-Oligos/DNA and S-Oligos/RNA showed that their stability is stereochemistry- and sequence-dependent.

  DOI：

  10.1021/ja00154a001
• 作为产物：
  描述：

  2,2'-dithiobis(2-methylpropanal) 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以71%的产率得到2-巯基-2-甲基丙烷-1-醇
  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。
• [EN] ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX DE PYRAZOLOPYRIDINONE
  申请人：NOVARTIS AG

  公开号：WO2021061898A1

  公开（公告）日：2021-04-01

  The invention provides compounds of Formula (I) as described herein, along with pharmaceutically acceptable salts, pharmaceutical compositions containing such compounds, and methods to use these compounds, salts and compositions for treating viral infections, particularly infections caused by herpesviruses.

  该发明提供了如下所述的化合物的化学式(I)，以及药学上可接受的盐、含有这些化合物的药物组合物，以及使用这些化合物、盐和组合物治疗病毒感染的方法，特别是由疱疹病毒引起的感染。
• [EN] NEODEGRADER CONJUGATES<br/>[FR] CONJUGUÉS DE TYPE NEODEGRADER
  申请人：ORUM THERAPEUTICS INC

  公开号：WO2021198965A1

  公开（公告）日：2021-10-07

  The present disclosure provides neoDegraders and neoDegraders conjugated to binding moieties. Also provided are compositions comprising the conjugates. The compounds and compositions are useful for treating a disease or condition, e.g., cancer, in a subject in need thereof.

  本公开提供了与结合基团结合的neoDegraders和neoDegraders。还提供了包含这些结合物的组合物。这些化合物和组合物对于治疗患有疾病或症状的受试者（例如癌症）是有用的。
• [EN] HINDERED DISULFIDE DRUG CONJUGATES<br/>[FR] CONJUGUÉS MÉDICAMENTEUX À PONT DISULFURE ENCOMBRÉ
  申请人：GENENTECH INC

  公开号：WO2017064675A1

  公开（公告）日：2017-04-20

  The invention relates generally to disulfide drug conjugates wherein a linker comprising a sulfur-bearing carbon atom substituted with at least one hydrocarbyl or substituted hydrocarbyl is conjugated by a disulfide bond to a cysteine sulfur atom of a targeting carrier, and wherein the linker is further conjugated to a drug moiety. The invention further relates to activated linker-drug conjugates suitable for conjugation to a targeting carrier by a disulfide bond. The invention further relates to methods for preparing hindered disulfide drug conjugates.

  该发明一般涉及二硫键药物偶联物，其中含有至少一个被至少一个碳氢化合物或取代碳氢化合物所取代的含硫碳原子的连接剂通过二硫键与靶向载体的半胱氨酸硫原子偶联，并且连接剂进一步与药物部分偶联。该发明进一步涉及适合通过二硫键与靶向载体偶联的活化连接剂-药物偶联物。该发明还进一步涉及制备受阻二硫键药物偶联物的方法。