1-(2,6-二氟苯基)-1,3-二氢-[1,3]噻唑并[3,4-a]苯并咪唑 | 138226-12-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-(2,6-二氟苯基)-1,3-二氢-[1,3]噻唑并[3,4-a]苯并咪唑
• 中文别名: 2-(2,7,9-三氮杂二环[4.3.0]壬-2,4,8,10-四烯-8-基)乙酰腈
• 英文名称: 1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole
• 英文别名: 1-(2,6-difluorophenyl)-1,3-dihydrobenzo[4,5]imidazo[1,2-c]thiazole；NSC 625487；NSC-625487；D 625487；1-(2',6'-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole；Thiazolobenzimidazole；1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
• CAS: 138226-12-7
• 化学式: C₁₅H₁₀F₂N₂S
• 分子量: 288.321
• InChiKey: AMLBAOPYPUXEQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,6-二氟苯甲醛 、 邻苯二胺 以87的产率得到1-(2,6-二氟苯基)-1,3-二氢-[1,3]噻唑并[3,4-a]苯并咪唑
  参考文献：
  名称：

  Tetrahedron Letters 2009, 50, 5031-5034

  摘要：

  DOI：

文献信息

• One-pot synthesis of 1-aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazoles using magnetite-linked sulfonic acid as catalyst
  作者：Liqiang Wu、Xiao Wang

  DOI：10.1080/10426507.2014.906421

  日期：2014.12.2

  Abstract A series of 1-aryl-1H,3H-thiazolo[3,4-a]benzimidazole derivatives have been synthesized via the three-component reaction of o-phenylenediamine, aromatic aldehydes, and 2-mercaptoacetic acid, catalyzed by magnetite-linked sulfonic acid. This method has the advantages of high yield, extensive adaptability, easy operation, and environmental friendliness. Supporting this acid catalyst on magnetite

  摘要 通过邻苯二胺、芳香醛和2-巯基乙酸的三组分反应，在磁铁矿连接的催化下，合成了一系列1-芳基-1H,3H-噻唑并[3,4-a]苯并咪唑衍生物。磺酸。该方法具有收率高、适应性广、操作简便、环境友好等优点。将这种酸催化剂负载在磁铁矿颗粒上提供了一种简单且非能源密集型的方法，通过应用外部磁铁来回收和再利用催化剂。
• [EN] SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE<br/>[FR] BENZIMIDAZOLES SUBSTITUES EN TANT QU'INHIBITEURS NON NUCLEOSIDIQUES DE LA TRANSCRIPTASE INVERSE
  申请人：US HEALTH

  公开号：WO2001014343A1

  公开（公告）日：2001-03-01

  Benzimidazole derivatives substituted in position 2 by a 2,6 difluorophenyl and/or in position 1 by a 2,6-difluorobenzyl group are HIV-1 reverse transcriptase inhibitors useful in treatment of HIV infections.

  2-位置被2,6-二氟苯基和/或1-位置被2,6-二氟苄基取代的苯并咪唑衍生物是HIV-1反转录酶抑制剂，可用于治疗HIV感染。
• Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase
  申请人：——

  公开号：US20030191160A1

  公开（公告）日：2003-10-09

  The present invention provides compositions and methods for the treatment of HIV infection. In particular, the present invention provides non-nucleoside inhibitors of reverse transcriptase (RT), as well as methods to treat HIV infection using these non-nucleoside inhibitors of RT. In preferred embodiments, the present invention provides a novel class of substituted benzimidazoles, effective in the inhibition of human immunodeficiency virus (HIV) RT.

  本发明提供了治疗HIV感染的组合物和方法。特别是，本发明提供了反转录酶（RT）非核苷类抑制剂，以及使用这些非核苷类RT抑制剂治疗HIV感染的方法。在优选实施例中，本发明提供了一类新型的取代苯并咪唑，能够有效抑制人类免疫缺陷病毒（HIV）RT。
• Allosteric inhibitors of thymidylate synthase
  申请人：UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED

  公开号：US10420761B2

  公开（公告）日：2019-09-24

  The current invention is directed to a class of compounds that inhibit the function of Thymidylate synthase. Thymidylate synthase inhibition was noted to result in inhibition of tumor cell grow and killing of tumor cells. Thymidylate synthase inhibition is, thus, useful for treatment of various types of cancers, including but not limited to, acute lymphoblatic leukemia (ALL), acute myelogenous leukemia (AML), acute promyelocytic leukemia, chronic lymphocytic leukemia (CLL), chronic myelogenous leukemia (CML), acute monocytic leukemia (AMOL), hairy cell leukemia, large cell immunoblastic lymphoma, plasmacytoma, multiple myeloma, Hodgkin's lymphoma, non-Hodgkin's lymphoma, leukemia, brain cancer, lung cancer, central nervous system (CNS) cancer, melanoma, renal cancer, prostate cancer, colon cancer, ovarian cancer and breast cancer. The compounds disclosed herein can be used alone or in combination with other cancer treatment regimens (e.g., radiation therapy and/or other chemotherapeutic agents that are administered to a subject having a tumor, cancer or neoplasia).

  本发明涉及一类抑制胸苷酸合成酶功能的化合物。据指出，抑制胸腺苷酸合成酶可抑制肿瘤细胞生长并杀死肿瘤细胞。因此，胸苷酸合成酶抑制剂可用于治疗各种类型的癌症，包括但不限于急性淋巴细胞白血病（ALL）、急性髓性白血病（AML）、急性早幼粒细胞白血病、慢性淋巴细胞白血病（CLL）、慢性髓性白血病（CML）、急性单核细胞白血病（AMOL）、毛细胞白血病、大细胞免疫母细胞淋巴瘤、浆细胞瘤、多发性骨髓瘤、霍奇金淋巴瘤、非霍奇金淋巴瘤、白血病、脑癌、肺癌、中枢神经系统（CNS）癌、黑色素瘤、肾癌、前列腺癌、结肠癌、卵巢癌和乳腺癌。本文公开的化合物可单独使用，也可与其他癌症治疗方案（如对患有肿瘤、癌症或新生物的受试者施用的放射治疗和/或其他化疗药物）联合使用。
• Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents
  申请人：Maziasz Timothy

  公开号：US20050026902A1

  公开（公告）日：2005-02-03

  The present invention provides compositions and methods for the treatment of human immunodeficiency virus (HIV) infection as well as HIV associated diseases and related disorders. More particularly, the invention provides a combination therapy for the treatment of HIV infection as well as HIV associated diseases and related disorders comprising the administration to a subject of an anti-human immunodeficiency virus agent in combination with a cyclooxygenase-2 selective inhibitor or an isomer or a pharmaceutically acceptable salt, ester, or prodrug thereof.

  本发明提供了治疗人类免疫缺陷病毒（HIV）感染以及HIV相关疾病和相关紊乱的组合物和方法。更具体地说，本发明提供了一种治疗HIV感染以及HIV相关疾病和相关紊乱的组合疗法，包括向受试者施用抗人类免疫缺陷病毒制剂与环氧化酶-2选择性抑制剂或其异构体或其药学上可接受的盐、酯或原药组合。