diallyl 3,3'-thiodipropanoate | 39557-51-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diallyl 3,3'-thiodipropanoate
• 英文别名: 3,3'-thiodipropionic acid, diallyl ester；diallyl 3,3'-thiodipropionate；Diprop-2-en-1-yl 3,3'-sulfanediyldipropanoate；prop-2-enyl 3-(3-oxo-3-prop-2-enoxypropyl)sulfanylpropanoate
• CAS: 39557-51-2
• 化学式: C₁₂H₁₈O₄S
• 分子量: 258.339
• InChiKey: KUNAOSOKOQEGNB-UHFFFAOYSA-N

物化性质

• 沸点：
  182-184 °C(Press: 30 Torr)
• 密度：
  1.086±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  77.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diallyl 3,3'-thiodipropanoate 在 四(三苯基膦)钯 吗啉 、 sodium hydride 、 烯丙醇 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 4.25h， 生成 3-allyltetrahydrothiopyran-4-one
  参考文献：
  名称：

  Preparation of 3-Substituted 4-Thianones and Their 1,1-Dioxides via Palladium Mediated Deallyloxycarbonylation

  摘要：

  3- 烷基-4-噻酮 4（3-烷基-硫杂环己烷-4-酮）可以通过 3-烯丙氧羰基-4-噻酮（1b）的烷基化，然后在吗啉存在下，由四（三苯基膦）钯介导的脱烯丙氧羰基化反应方便地制备。相应的砜类化合物 9 以及 2,3-二烷基 4-噻酮衍生物 12 和 13 可通过类似的方法制备。

  DOI：

  10.1055/s-1989-27389
• 作为产物：
  描述：

  3,3'-硫代二丙酰基二氯化物 在 盐酸 、 三乙胺 作用下， 以 乙醚 为溶剂， 以82%的产率得到diallyl 3,3'-thiodipropanoate
  参考文献：
  名称：

  Ethylidene derivatives of tricyclic carbapenems

  摘要：

  揭示了新型三环卡那霉素的乙烯衍生物，其化学式为I，其中标记为C和X的环具有如描述中所述的含义，以纯对映异构体和纯几何异构体的形式存在。新型三环卡那霉素的乙烯衍生物可用作β-内酰胺酶酶的抑制剂和/或人类和兽医学中的抗生素。还揭示了用于治疗人类和动物体细菌感染的药物配方，包括作为活性成分的三环卡那霉素的乙烯衍生物I的治疗有效量，以酸、药学上可接受的盐或酯的形式存在，并可选择与β-内酰胺类抗生素组合，以及通常的药学上可接受的载体和辅助物质。还揭示了一种制备新型三环卡那霉素的乙烯衍生物I的方法。

  公开号：

  US06489318B1

文献信息

• Hexahydro-5-imino-1,4-heteroazepine derivatives as inhibitors of nitric
  申请人：Merck & Co., Inc.

  公开号：US06043358A1

  公开（公告）日：2000-03-28

  Disclosed herein are compounds of Formula I and pharmaceutically acceptable salts thereof which have been found useful in the treatment of nitric oxide synthase mediated diseases and disorders, including neurodegenerative disorders, disorders of gastrointestinal motility and inflammation. These diseases and disorders include hypotension, septic shock, toxic shock syndrome, hemodialysis, IL-2 therapy such as in in cancer patients, cachexia, immunosuppression such as in transplant therapy, autoimmune and/or inflammatory indications including sunburn, eczema or psoriasis and respiratory conditions such as bronchitis, asthma, oxidant-induced lung injury and acute respiratory distress (ARDS), glomerulonephritis, restenosis, inflammatory sequelae of viral infections, myocarditis, heart failure, atherosclerosis, osteoarthritis, rheumatoid arthritis, septic arthritis, chronic or inflammatory bowel disease, ulcerative colitis, Crohn's disease, systemic lupus erythematosis (SLE), ocular conditions such as ocular hypertension, retinitis and uveitis, type 1 diabetes, insulin-dependent diabetes mellitus and cystic fibrosis.

  本文披露了化合物I式及其药用盐，在治疗一氧化氮合酶介导的疾病和紊乱方面具有实用性，包括神经退行性疾病、胃肠运动障碍和炎症。这些疾病和紊乱包括低血压、脓毒性休克、毒性休克综合征、血液透析、IL-2治疗（如在癌症患者中）、虚弱、免疫抑制（如在移植治疗中）、自身免疫和/或炎症指示，包括晒伤、湿疹或银屑病，以及呼吸系统疾病，如支气管炎、哮喘、氧化剂诱导的肺损伤和急性呼吸窘迫综合征（ARDS）、肾小球肾炎、再狭窄、病毒感染的炎症后遗症、心肌炎、心力衰竭、动脉粥样硬化、骨关节炎、类风湿性关节炎、脓毒性关节炎、慢性或炎症性肠病、溃疡性结肠炎、克罗恩病、系统性红斑狼疮（SLE）、眼部疾病，如眼压增高、视网膜炎和葡萄膜炎、1型糖尿病、胰岛素依赖型糖尿病和囊性纤维化。
• Hexahydro-5-imino-1,4-1,4-thiazepine derivatives as inhibitors of nitric oxide synthases
  申请人：Merck & Co., Inc.

  公开号：US06372733B1

  公开（公告）日：2002-04-16

  Disclosed herein are compounds of Formula I and pharmaceutically acceptable salts thereof which have been found useful in the treatment of nitric oxide synthase mediated diseases and disorders, including neurodegenerative disorders, disorders of gastrointestinal motility and inflammation. These diseases and disorders include hypotension, septic shock, toxic shock syndrome, hemodialysis, IL-2 therapy such as in in cancer patients, cachexia, immunosuppression such as in transplant therapy, autoimmune and/or inflammatory indications including sunburn, eczema or psoriasis and respiratory conditions such as bronchitis, asthma, oxidant-induced lung injury and acute respiratory distress (ARDS), glomerulonephritis, restenosis, inflammatory sequelae of viral infections, myocarditis, heart failure, atherosclerosis, osteoarthritis, rheumatoid arthritis, septic arthritis, chronic or inflammatory bowel disease, ulcerative colitis, Crohn's disease, systemic lupus erythematosis (SLE), ocular conditions such as ocular hypertension, retinitis and uveitis, type 1 diabetes, insulin-dependent diabetes mellitus and cystic fibrosis.

  本文披露了Formula I的化合物及其在治疗一氧化氮合酶介导的疾病和紊乱方面发现的有用性，包括神经退行性疾病、胃肠道运动障碍和炎症。这些疾病和紊乱包括低血压、脓毒性休克、毒性休克综合征、血液透析、IL-2疗法（如癌症患者）、虚弱、免疫抑制（如移植疗法）、自身免疫和/或炎症性疾病，包括晒伤、湿疹或牛皮癣以及呼吸道疾病，如支气管炎、哮喘、氧化剂诱导的肺损伤和急性呼吸窘迫综合征（ARDS）、肾小球肾炎、再狭窄、病毒感染的炎症后遗症、心肌炎、心力衰竭、动脉粥样硬化、骨关节炎、类风湿性关节炎、脓毒性关节炎、慢性或炎症性肠病、溃疡性结肠炎、克罗恩病、系统性红斑狼疮（SLE）、眼部疾病，如眼压增高、视网膜炎和葡萄膜炎、1型糖尿病、胰岛素依赖性糖尿病和囊性纤维化等。
• Lubricating oil composition
  申请人：TONEN CORPORATION

  公开号：EP0860495A2

  公开（公告）日：1998-08-26

  A lubricating oil composition is provided, which comprises a lubricating base oil and based on the whole weight of the lubricating oil composition, (A) 0.5 wt% to 10 wt% of a metal salicylate having a total base number of from 100 mg-KOH/g to 195 mg-KOH/g, (B) 0.1 wt% to 10 wt% of a diarylamine compound, (C) 0.1 wt% to 10 wt% of a hindered phenol compound, and (D) 1 wt% to 10 wt% of a polyalkenylsuccinimide and/or a boron-containing polyalkenylsuccinimide. Also provided is a lubricating oil composition which further comprises 0.1 wt% to 10 wt% of a metal phenate having a total base number of from 100 mg-KOH/g to 300 mg-KOH/g as a component (E) in addition to the above components (A) to (D). The lubricating oil composition is excellent in all properties of detergency, NOx oxidation resistance and thermal oxidation resistance and suitable as a long-life engine oil for gas engine heat pumps.

  提供了一种润滑油组合物，它包括润滑基础油和基于润滑油组合物整体重量的 (A) 0.5 wt% 至 10 wt% 的金属水杨酸盐，其总碱基数为 100 mg-KOH/g 至 195 mg-KOH/g；(B) 0.1 wt% 至 10 wt% 的二芳基胺化合物，(C) 0.1 wt% 至 10 wt% 的受阻酚化合物，以及 (D) 1 wt% 至 10 wt% 的聚烯基琥珀酰亚胺和/或含硼聚烯基琥珀酰亚胺。 还提供了一种润滑油组合物，除上述成分（A）至（D）外，该组合物还进一步包含 0.1 wt% 至 10 wt% 的金属苯甲酸酯，其总碱基数为 100 mg-KOH/g 至 300 mg-KOH/g，作为成分（E）。 该润滑油组合物在清净性、抗氮氧化物氧化性和抗热氧化性等所有性能方面都非常出色，适合用作燃气发动机热泵的长寿命发动机油。
• Design, synthesis and bioactivity evaluation of tribactam β lactamase inhibitors
  作者：Anton Copar、Tadeja Prevec、Borut Anžič、Tomaž Mesar、Lovro Selič、Mateja Vilar、Tom Solmajer

  DOI：10.1016/s0960-894x(02)00061-6

  日期：2002.3

  Known carbapenem compounds with inhibitory effect towards P-lactamase enzymes are formed from bicyclical beta lactam structural scaffolds. On the basis of results from theoretical computational methods and molecular modelling we have designed and developed a synthetic route towards novel, biologically active tricyclic derivatives of carbapenems. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases
  作者：K. Shankaran、Karla L. Donnelly、Shrenik K. Shah、Charles G. Caldwell、Ping Chen、William K. Hagmann、Malcolm MacCoss、John L. Humes、Stephen G. Pacholok、Theresa M. Kelly、Stephan K. Grant、Kenny K. Wong

  DOI：10.1016/j.bmcl.2004.09.019

  日期：2004.12

  A series of 3- and 5-imino analogs from oxazepane, thiazepane, and diazepane was prepared and evaluated as inhibitors of human nitric oxide synthesis (NOS). The most potent iNOS inhibitor was the thiazepane analog 25 (IC50 = 0.19 muM). (C) 2004 Elsevier Ltd. All rielits reserved.