1-((2-chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine | 885675-76-3

• 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: 1-((2-chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
• 英文别名: [1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-ylmethyl)piperidin-4-yl]dimethylamine；1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N,N-dimethylpiperidin-4-amine
• CAS: 885675-76-3
• 化学式: C₁₈H₂₆ClN₅OS
• 分子量: 395.956
• InChiKey: GIASVLIMMJLUAO-UHFFFAOYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  73
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  苯并咪唑 、 1-((2-chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.67h， 以63%的产率得到1-((2-(1H-benzo[d]imidazol-1-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
  参考文献：
  名称：

  [EN] BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE
  [FR] COMPOSÉS PYRIMIDINES BICYCLIQUES INHIBITEURS DE PI3K SÉLECTIFS POUR P110 DELTA, ET PROCÉDÉS D'UTILISATION

  摘要：

  公式（I）（（Ia）和（Ib））化合物，其中（i）X1为N且X2为S，（ii）X1为CR7且X2为S，（iii）X1为N且X2为NR2，或（iv）X1为CR7且X2为O，包括其立体异构体，互变异构体，代谢物和药用可接受盐，用于抑制PI3K的δ异构体，并用于治疗由脂质激酶介导的疾病，如炎症，免疫和癌症。公开了使用公式（I）化合物进行体外，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病理状况的方法。

  公开号：

  WO2010138589A1
• 作为产物：
  描述：

  2-氯-4-(4-吗啉基)噻吩并[3,2-D]嘧啶 在 titanium(IV) isopropylate 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 26.5h， 生成 1-((2-chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
  参考文献：
  名称：

  [EN] NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME
  [FR] NOUVEAUX INHIBITEURS DE LA PIKFYVE ET LEURS MÉTHODES D'UTILISATION

  摘要：

  The invention relates to novel inhibitors of the PIKFYVE, a phosphoinositide kinase, useful for the treatment of diseases or disorders characterized by dysregulation of phosphoinositide-mediated signal transduction pathways, including hyperproliferative diseases (such as MET or RAS dependent cancers), autoimmune diseases, Crohn's disease, psoriasis, neurological diseases, diabetes, corneal fleck dystrophy, and viral infection (including HIV, Ebola, and coronavirus infections). The invention further relates to pharmaceutical compositions comprising PIKFYVE inhibitors and methods of treatment of such diseases and disorders.

  公开号：

  WO2023058003A1

文献信息

• [EN] BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE<br/>[FR] COMPOSÉS BICYCLIQUES INDOLE-PYRIMIDINE INHIBITEURS DE PI3K SÉLECTIFS POUR P110 DELTA ET LEURS PROCÉDÉS D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010136491A1

  公开（公告）日：2010-12-02

  Formula I (Ia and Ib) compounds wherein (i) X1 is N and X2 is S, (ii) X1 is CR7 and X2 is S, (iii) X1 is N and X2 is NR2, (iv) X1 is CR7 and X2 is O, or (v) X1 is CR7 and X2 is NR2, including stereoisomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PBK, and for treating disorders mediated by lipid kinases such as inflammation, immunological, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Formula I（Ia和Ib）化合物，其中（i）X1为N且X2为S，（ii）X1为CR7且X2为S，（iii）X1为N且X2为NR2，（iv）X1为CR7且X2为O，或（v）X1为CR7且X2为NR2，包括立体异构体、互变异构体、代谢物及其药学上可接受的盐，用于抑制PBK的δ同工酶，并用于治疗由脂质激酶介导的疾病，如炎症、免疫和癌症。公开了使用Formula I化合物进行体外、体内和体内诊断、预防或治疗哺乳动物细胞中的这些疾病，或相关病理条件的方法。
• Pharmaceutical compounds
  申请人：Shutteleworth Stephen

  公开号：US20090131429A1

  公开（公告）日：2009-05-21

  Fused pyrimidines of formula (I): where A is a thiophene or furan ring and R 1 -R 3 and n are defined in the specification. These compounds have activity as inhibitors of PI 3 K and may thus be used to treat diseased and disorders arising from abnormal cell growth, function or behaviour associated with PI 3 kinase such as cancer, immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine disorders and neurological disorders. Processes for synthesizing the compounds are also described.

  式(I)的融合嘧啶化合物：其中A为噻吩或呋喃环，R1-R3和n在规范中有定义。这些化合物具有抑制PI3K的活性，因此可用于治疗与PI3激酶相关的异常细胞生长、功能或行为引起的疾病和障碍，如癌症、免疫性疾病、心血管疾病、病毒感染、炎症、代谢/内分泌障碍和神经系统疾病。还描述了合成这些化合物的方法。
• PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS
  申请人：Baker Stewart James

  公开号：US20100016306A1

  公开（公告）日：2010-01-21

  Thienopyrimidines of formula (Ia) or (Ib): wherein R 1 -R 3 have any of the values described herein, and the pharmaceutically acceptable salt thereof have activity as inhibitors of PI3K and may thus be used to treat diseases and disorders arising from abnormal cell growth, function or behaviour associated with PI3 kinase, in particular the p110 delta subtype, such as immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine disorders and neurological disorders. Processes for synthesizing the compounds are also described.

  式(Ia)或(Ib)的噻唑并[3,2-d]嘧啶类化合物：其中R1-R3具有以下任何一种所述的值，以及其药学上可接受的盐具有PI3K抑制剂活性，因此可用于治疗由于PI3激酶异常细胞生长、功能或行为引起的疾病和障碍，特别是p110 delta亚型，例如免疫障碍、心血管疾病、病毒感染、炎症、代谢/内分泌障碍和神经障碍。还描述了合成该化合物的方法。
• PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Bayliss Tracy

  公开号：US20080242665A1

  公开（公告）日：2008-10-02

  Compounds of Formulas Ia-d where X is S or O, mor is a morpholine group, and R 3 is a monocyclic heteroaryl group, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for modulating the activity of lipid kinases including PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula Ia-d for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  化学式Ia-d的化合物，其中X为S或O，mor为吗啡啶基团，R3为单环杂芳基团，包括立体异构体、几何异构体、互变异构体、溶剂化物、代谢物和药学上可接受的盐，可用于调节脂质激酶包括PI3K的活性，并用于治疗由脂质激酶介导的癌症等疾病。本文公开了使用化合物Ia-d的方法，用于哺乳动物细胞中体外、体内诊断、预防或治疗这种疾病或相关病理条件。
• PHARMACEUTICAL COMPOUNDS
  申请人：Shuttleworth Stephen J.

  公开号：US20100280027A1

  公开（公告）日：2010-11-04

  Provided herein are methods of treating diseases or disorders arising from abnormal cell growth, function or behavior associated with PI3 kinase, which method includes administering to a patient in need thereof a compound that is a fused pyrimidine of formula (I):

  本文提供了一种治疗因PI3激酶异常细胞生长、功能或行为引起的疾病或紊乱的方法，该方法包括向需要该治疗的患者施用以下化合物的融合嘧啶：(I)。