4-(2-chloro-6-iodothieno[3,2-d]pyrimidin-4-yl)morpholine | 956034-15-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 4-(2-chloro-6-iodothieno[3,2-d]pyrimidin-4-yl)morpholine
• CAS: 956034-15-4
• 化学式: C₁₀H₉ClIN₃OS
• 分子量: 381.624
• InChiKey: SJEBUPZLTNDCMP-UHFFFAOYSA-N

物化性质

• 密度：
  1.939±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  66.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(2-chloro-6-iodothieno[3,2-d]pyrimidin-4-yl)morpholine 在 copper(l) iodide 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 caesium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.5h， 生成 5-(6-(azetidin-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
  参考文献：
  名称：

  The Design and Identification of Brain Penetrant Inhibitors of Phosphoinositide 3-Kinase α

  摘要：

  Inhibition of phosphoinositide 3-kinase (PI3K) signaling through PI3K alpha has received significant attention for its potential in cancer therapy. While the PI3K pathway is a well-established and widely pursued target for the treatment of many cancer types due to the high frequency of abnormal PI3K signaling, glioblastoma multiforme (GBM) is particularly relevant because the pathway is implicated in more than 80% of GBM cases. Herein, we report the identification of PI3K inhibitors designed to cross the blood-brain barrier (BBB) to engage their target where GBM tumors reside. We leveraged our historical experience with PI3K inhibitors to identify correlations between physicochemical properties and transporter efflux as well as metabolic stability to focus the selection of molecules for further study.

  DOI：

  10.1021/jm300867c
• 作为产物：
  描述：

  2-氯-4-(4-吗啉基)噻吩并[3,2-D]嘧啶 在 正丁基锂 、 碘 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 17.0h， 以64%的产率得到4-(2-chloro-6-iodothieno[3,2-d]pyrimidin-4-yl)morpholine
  参考文献：
  名称：

  [EN] COMPOUNDS AND THERAPEUTIC USES THEREOF
  [FR] COMPOSÉS ET LEURS UTILISATIONS THÉRAPEUTIQUES

  摘要：

  该发明涉及用于治疗癌症、全身性或慢性炎症、类风湿性关节炎、糖尿病、肥胖、T细胞介导的自身免疫疾病、与IL12/IL23过度产生相关的疾病、溶酶体贮积疾病、埃博拉病毒感染、缺血以及与这些疾病和疾病相关并发症的化合物、药物组合物和治疗方法。

  公开号：

  WO2019113523A1

文献信息

• Pharmaceutical compounds
  申请人：Folkes Adrian

  公开号：US20080076758A1

  公开（公告）日：2008-03-27

  Compounds of Formulae Ia and Ib, and stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula Ia and Ib for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  化合物Ia和Ib的结构，以及它们的立体异构体、几何异构体、互变异构体、溶剂合物、代谢产物和药学上可接受的盐，可用于抑制包括PI3K在内的脂质激酶，并用于治疗由脂质激酶介导的癌症等疾病。公开了使用化合物Ia和Ib进行体外、体内和体内诊断、预防或治疗哺乳动物细胞中的这类疾病，或相关的病理状况的方法。
• LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN
  申请人：Petter Russell C.

  公开号：US20110269244A1

  公开（公告）日：2011-11-03

  The present invention relates to enzyme inhibitors. More specifically, the present invention relates to ligand-directed covalent modification of proteins; method of designing same; pharmaceutical formulation of same; and method of use.

  本发明涉及酶抑制剂。更具体地说，本发明涉及配体导向的蛋白共价修饰；相同设计方法；相同的药物配方；以及使用方法。
• PI3 KINASE INHIBITORS AND USES THEREOF
  申请人：NIU DEQIANG

  公开号：US20110230476A1

  公开（公告）日：2011-09-22

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用相同的方法。
• COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES
  申请人：Ebens, JR. Allen J.

  公开号：US20100233164A1

  公开（公告）日：2010-09-16

  Combinations of PI3K inhibitor compounds having Formula I and chemotherapeutic agents, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for treating hematopoietic malignancies. Methods of using such combinations for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  具有I式的PI3K抑制剂化合物及其立体异构体、几何异构体、互变异构体、代谢产物和药学上可接受的盐的组合物，可用于治疗造血恶性肿瘤。本文披露了使用这种组合物在哺乳动物细胞中进行体外、体内和原位诊断、预防或治疗此类疾病或相关病理条件的方法。
• Phosphoinositide 3-kinase inhibitor compounds and methods of use
  申请人：Folkes Adrian

  公开号：US20080039459A1

  公开（公告）日：2008-02-14

  Compounds of Formulas Ia and Ib, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula Ia and Ib for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  公式Ia和Ib的化合物，包括立体异构体，几何异构体，互变异构体，溶剂化物，代谢物和其药学上可接受的盐，可用于抑制脂质激酶包括PI3K，并用于治疗由脂质激酶介导的癌症等疾病。公开了使用公式Ia和Ib的化合物用于哺乳动物细胞中的体外，体内和原位诊断，预防或治疗此类疾病或相关病理条件的方法。