2-异硫氰基呋喃 | 22439-07-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 2-异硫氰基呋喃
• 英文名称: 2-furoyl isothiocyanate
• 英文别名: 2-Isothiocyanatofuran
• CAS: 22439-07-2
• 化学式: C₅H₃NOS
• 分子量: 125.151
• InChiKey: CMFMUVJURRGMTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-异硫氰基呋喃 在 potassium hydroxide 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 0.5h， 生成 5‑((p‑chlorophenyl)‑4‑furfuryl‑4H‑1,2,4‑triazol‑3‑ylthio)‑N‑cyclohexylacetamide
  参考文献：
  名称：

  审查新的 N-糠基化对氯苯基-1,2,4-三唑乙酰胺作为脂氧合酶抑制剂辅助体外和计算机研究

  摘要：

  抗炎剂抑制环氧合酶 (COX) 酶或脂氧合酶 (LOX) 酶，以预防与包括癌症在内的各种疾病有关的炎症。非甾体类抗炎药 (NSAID) 可抑制 COX 酶，但市售的抑制 LOX 酶的药物较少。因此，目前的工作旨在合成5-( p - chlorophenyl) -N -furfuryl-4H-1,2,4-triazol-3-ylthio )acetamide 的N-烷基/芳烷基/芳基衍生物 ( 7a–p )并通过体外和计算机模拟方法针对 15-LOX 筛选它们以寻找线索。这些化合物是通过对氯苯甲酸 ( a ) 依次转化为酯 ( 1 )、酰肼 ( 2)、4-糠基-(1-对氯苯基)氨基硫脲 ( 3 ) 和 5-(对氯苯基)- N -糠基-4H-1,2,4-三唑-3-硫醇 ( 4 ) 最后是7a– p . 这些支架 ( 7a–p ) 以现代技术为特征。三种类似物7m、7i和7o表现出出色的抑制特性，IC

  DOI：

  10.1007/s13738-022-02733-2

文献信息

• Substituted 2-aminothiazoles for treating neurodegenerative diseases
  申请人：Cole Andrew G.

  公开号：US20090005568A1

  公开（公告）日：2009-01-01

  The invention relates to substituted 2-aminothiazole derivatives useful in treating disorders that are mediated by A 2a receptor function, including neurodegenerative diseases including Parkinson's disease and inflammation. The compounds have general formula I:

  该发明涉及到用于治疗由A2a受体功能介导的疾病的取代2-氨基噻唑衍生物，包括神经退行性疾病，如帕金森病和炎症。这些化合物具有一般公式I：
• 杀线虫活性化合物及其制备方法和用途
  申请人：华东理工大学

  公开号：CN115536646A

  公开（公告）日：2022-12-30

  本发明提供式I所示化合物。式I所示化合物具备优异的杀线虫活性，从而能够制备高效、低毒和环境相容性好的杀线虫剂。
• The discovery of RPR 200765A, a p38 MAP kinase inhibitor displaying a good oral anti-arthritic efficacy
  作者：Iain M. McLay、Frank Halley、John E. Souness、Jeffrey McKenna、Veronique Benning、Mark Birrell、Brenda Burton、Maria Belvisi、Alan Collis、Alex Constan、Martyn Foster、David Hele、Zaid Jayyosi、Mike Kelley、Chris Maslen、Glen Miller、Marie-Claude Ouldelhkim、Kenneth Page、Simon Phipps、Kenneth Pollock、Barry Porter、Andrew J. Ratcliffe、Elisabeth J. Redford、Stephen Webber、Bryan Slater、Veronique Thybaud、Nicola Wilsher

  DOI：10.1016/s0968-0896(00)00331-x

  日期：2001.2

  RPR132331, a 2-(2-dioxanyl)imidazole. was identified as an inhibitor of tumour necrosis factor (TNF)alpha release from lipopolysaccharide (LPS)-stimulated human monocytes. An intensive programme of work exploring the biology, toxicity and physical chemistry of a novel series of inhibitors, derived from RPR132331, has led to the identification of RPR200765A, a development candidate for the treatment of rheumatoid arthritis (RA). RPR200765A is a potent and selective inhibitor of p38 MAP kinase (IC50 = 50 nM). It inhibits LPS-stimulated TNF alpha release both in vitro, from human monocytes (EC50 = 110 nM), and in vivo in Balb/c mice (ED50 = 6 mg/kg). At oral doses between 10 and 30 mg/kg/day it reduces the incidence and progression in the rat streptococcal cell wall (SCW) arthritis model when administered in either prophylactic or therapeutic dosing regimens. The compound, which is a mesylate salt and exists as a stable monohydrate, shows good oral bioavailabiltiy (F = 50% in the rat) and excellent chemical stability. The data from the SCW disease model suggests that RPR200765A could exhibit a profile of disease modifying activity in rheumatoid arthritis (RA) patients which is not observed with current drug therapies. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Vetting of new N-furfurylated p-chlorophenyl-1,2,4-triazole acetamides as lipoxygenase inhibitors assisted with in vitro and in silico studies
  作者：Naheed Riaz、Muhammad Yasin、Muhammad Ashraf、Muhammad Saleem、Bushra Bashir、Ambar Iqbal、Aziz-ur-Rehman、Syeda Abida Ejaz、Samina Ejaz、Hafiz Mohammad Kashif Mahmood、Keshab Bhattarai

  DOI：10.1007/s13738-022-02733-2

  日期：——

  Anti-inflammatory agents inhibit cyclooxygenase (COX) enzymes or lipoxygenase (LOX) enzymes to prevent inflammation implicated in various diseases including cancer. Non-steroidal anti-inflammatory drugs (NSAIDs) inhibit COX enzymes but fewer drugs are marketed to inhibit the LOX enzymes. Therefore, the present work was aimed to synthesize N-alkyl/aralkyl/aryl derivatives (7a–p) of 5-(p-chlorophenyl)-N-furfuryl-4H-1

  抗炎剂抑制环氧合酶 (COX) 酶或脂氧合酶 (LOX) 酶，以预防与包括癌症在内的各种疾病有关的炎症。非甾体类抗炎药 (NSAID) 可抑制 COX 酶，但市售的抑制 LOX 酶的药物较少。因此，目前的工作旨在合成5-( p - chlorophenyl) -N -furfuryl-4H-1,2,4-triazol-3-ylthio )acetamide 的N-烷基/芳烷基/芳基衍生物 ( 7a–p )并通过体外和计算机模拟方法针对 15-LOX 筛选它们以寻找线索。这些化合物是通过对氯苯甲酸 ( a ) 依次转化为酯 ( 1 )、酰肼 ( 2)、4-糠基-(1-对氯苯基)氨基硫脲 ( 3 ) 和 5-(对氯苯基)- N -糠基-4H-1,2,4-三唑-3-硫醇 ( 4 ) 最后是7a– p . 这些支架 ( 7a–p ) 以现代技术为特征。三种类似物7m、7i和7o表现出出色的抑制特性，IC