2-chloro-3-(thiophen-2-yl) quinoxaline | 71266-18-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-chloro-3-(thiophen-2-yl) quinoxaline
• 英文别名: 2-Chloro-3-(2-thienyl)quinoxaline；2-chloro-3-thiophen-2-ylquinoxaline
• CAS: 71266-18-7
• 化学式: C₁₂H₇ClN₂S
• mdl: MFCD00113362
• 分子量: 246.72
• InChiKey: FBYUCZXMDOQOSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-chloro-3-(thiophen-2-yl) quinoxaline 在 硫脲 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以78%的产率得到3-thienyl-2-mercaptoquinoxaline
  参考文献：
  名称：

  Piras; Loriga; Paglietti, Il Farmaco, 1993, vol. 48, # 9, p. 1249 - 1259

  摘要：

  DOI：
• 作为产物：
  描述：

  2-噻吩乙醛酸 在 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 2.17h， 生成 2-chloro-3-(thiophen-2-yl) quinoxaline
  参考文献：
  名称：

  Loriga; Fiore; Sanna, Il Farmaco, 1995, vol. 50, # 5, p. 289 - 301

  摘要：

  DOI：

文献信息

• NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION
  申请人：Seiwert Scott D.

  公开号：US20090269305A1

  公开（公告）日：2009-10-29

  The embodiments provide compounds of the general Formulae I, II, III, IV, V, VI, VII, and X, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  该实施例提供了一般式I、II、III、IV、V、VI、VII和X的化合物，以及包括药物组合物在内的组合物，其中包括一种主体化合物。该实施例还提供了治疗方法，包括治疗丙型肝炎病毒感染的方法和治疗肝纤维化的方法，这些方法通常涉及向需要的个体施用一种主体化合物或组合物的有效量。
• Quinoxaline chemistry. Part XVII. Methyl [4-(substituted 2-quinoxalinyloxy) phenyl] acetates and ethyl N-{[4-(substituted 2-quinoxalinyloxy) phenyl] acetyl} glutamates analogs of methotrexate: synthesis and evaluation of in vitro anticancer activity
  作者：Sandra Piras、Mario Loriga、Giuseppe Paglietti

  DOI：10.1016/j.farmac.2003.11.014

  日期：2004.3

  Fourteen out of 21 quinoxaline derivatives described in the present paper were selected at NCI for evaluation of their in vitro anticancer activity. Preliminary screening showed that some derivatives exhibited a moderate to strong growth inhibition activity on various tumor panel cell lines between 10(-5) and 10(-4) M concentrations. Interesting selectivities were also recorded between 10(-8) and 10(-6)

  在NCI上从本论文中描述的21种喹喔啉衍生物中选择了14种，以评估其体外抗癌活性。初步筛选显示，某些衍生物在10（-5）和10（-4）M浓度之间的各种肿瘤细胞系上均表现出中等至强的生长抑制活性。还记录了化合物9和13在10（-8）和10（-6）M之间的有趣选择性。
• [EN] MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS MACROCYCLIQUES DE LA SÉRINE PROTÉASE DE L'HÉPATITE C
  申请人：ENANTA PHARJMACEUTICALS INC

  公开号：WO2010030359A2

  公开（公告）日：2010-03-18

  The present invention relates to novel macrocyclic compounds and methods of use thereof. The present invention further relates to pharmaceutical compositions comprising the compounds of the present invention, or pharmaceutically acceptable salts, esters, or prodrugs thereof, in combination with a pharmaceutically acceptable carrier or excipient.

  本发明涉及新型大环化合物及其使用方法。本发明还涉及包含本发明化合物、或其药学上可接受的盐、酯或前药与药学上可接受的载体或赋形剂组合而成的药物组合物。
• Macrocyclic hepatitis C serine protease inhibitors
  申请人：Ku Yiyin

  公开号：US20100144608A1

  公开（公告）日：2010-06-10

  The present invention relates to novel macrocyclic compounds and methods of treating a hepatitis C infection in a subject in need of such therapy with said macrocyclic compounds. The present invention further relates to pharmaceutical compositions comprising the compounds of the present invention, or pharmaceutically acceptable salts, esters, or prodrugs thereof, in combination with a pharmaceutically acceptable carrier or excipient.

  本发明涉及新型大环化合物及其用于治疗需要该治疗的丙型肝炎感染患者的方法。本发明还涉及包含本发明化合物或其药学上可接受的盐、酯或前药与药学上可接受的载体或赋形剂组合的制药组合物。
• MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：Ku Yiyin

  公开号：US20120196792A1

  公开（公告）日：2012-08-02

  The present invention relates to novel macrocyclic compounds and methods of treating a hepatitis C infection in a subject in need of such therapy with said macrocyclic compounds. The present invention further relates to pharmaceutical compositions comprising the compounds of the present invention, or pharmaceutically acceptable salts, esters, or prodrugs thereof, in combination with a pharmaceutically acceptable carrier or excipient.

  本发明涉及新型大环化合物及使用该大环化合物治疗需要此类治疗的乙型肝炎感染患者的方法。本发明还涉及含有本发明化合物或其药学上可接受的盐、酯或前药的制药组合物，与药学上可接受的载体或赋形剂结合使用。