1-(thieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine | 916610-41-8

• 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-(thieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
• 英文别名: 1-thieno[3,2-d]pyrimidin-4-yl-piperidin-4-ylamine；1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-amine
• CAS: 916610-41-8
• 化学式: C₁₁H₁₄N₄S
• mdl: MFCD12137465
• 分子量: 234.325
• InChiKey: HKGJXXQSKLNJKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  83.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(thieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine 、 2-{[4-(tert-butyldimethylsiloxy)phenoxy]methyl}oxirane 以 异丙醇 为溶剂， 生成 1-(4-((tert-butyldimethylsilyl)oxy)phenoxy)-3-((1-(thieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl)amino)propan-2-ol
  参考文献：
  名称：

  Thienopyrimidines as β3-adrenoceptor agonists: Hit-to-lead optimization

  摘要：

  Resulting from a vHTS based on a pharmacophore alignment on known beta 3-adrenoceptor ligands, an aryloxypropanolamine scaffold comprising a thienopyrimidine moiety was further optimized as a human beta 3-AR agonist, yielding a lead compound with an excellent cellular activity of EC(50) = 20 pM, selectivity over h beta 1- and h beta 2- adrenoceptors and a promising safety profile. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.039
• 作为产物：
  描述：

  2,4-二氯噻吩并[3,2-D]嘧啶 在 盐酸 、 palladium on activated charcoal 、 氢气 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 5.0h， 生成 1-(thieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
  参考文献：
  名称：

  [EN] ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF
  [FR] MODULATEURS D'ECTONUCLÉOTIDES PYROPHOSPHATASES/PHOSPHODIESTÉRASES 1 (ENPP1) ET LEURS UTILISATIONS

  摘要：

  本文提供了外胞核苷酸焦磷酸酶/磷酸二酯酶1（ENPP1）的小分子调节剂，包括这些化合物的组合物，以及使用这些化合物和包含这些化合物的组合物的方法。

  公开号：

  WO2021133915A1

文献信息

• THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS
  申请人：Gaul David Michael

  公开号：US20060281768A1

  公开（公告）日：2006-12-14

  The invention is directed to thienopyrimidines and thienopyridines compounds of Formula I and Formula II: where R 1 , R 3 , B, Z, Q, p, q and X are as defined herein, the use of such compounds as protein tyrosine kinase modulators, particularly inhibitors of FLT3, the use of such compounds to reduce or inhibit kinase activity of FLT3 in a cell or a subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to FLT3. The present invention is further directed to pharmaceutical compositions comprising the compounds of the present invention and to methods for treating conditions such as cancers and other cell proliferative disorders.

  该发明涉及Formula I和Formula II的噻吩嘧啶和噻吩吡啶化合物：其中R1、R3、B、Z、Q、p、q和X的定义如本文所述，这些化合物的用途作为蛋白酪氨酸激酶调节剂，特别是FLT3的抑制剂，这些化合物的用途是减少或抑制细胞或受试者中FLT3的激酶活性，以及这些化合物的用途用于预防或治疗受试者的细胞增殖紊乱和/或与FLT3相关的紊乱。本发明进一步涉及包含本发明化合物的药物组合物，以及用于治疗癌症和其他细胞增殖紊乱等病症的方法。
• SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS
  申请人：Baumann Andrew Christian

  公开号：US20060281769A1

  公开（公告）日：2006-12-14

  The invention is directed to a method of inhibiting FLT3 tyrosine kinase activity or expression or reducing FLT3 kinase activity or expression in a cell or a subject comprising the administration of a farnesyl transferase inhibitor and a FLT3 kinase inhibitor selected from thienopyrimidine and thienopyridine compounds Formula I′ and Formula II′: where R 1 , R 3 , B, Z, Q, p, q and X are as defined herein. Included within the present invention is both prophylactic and therapeutic methods for treating a subject at risk of (or susceptible to) developing a cell proliferative disorder or a disorder related to FLT3.

  该发明涉及一种抑制细胞或受试者中FLT3酪氨酸激酶活性或表达的方法，或减少FLT3激酶活性或表达的方法，包括给予一种法尼基转移酶抑制剂和一种从噻吩吡啶和噻吩吡啶化合物Formula I'和Formula II'中选择的FLT3激酶抑制剂：其中R1、R3、B、Z、Q、p、q和X的定义如本文所述。本发明涵盖了治疗患有细胞增殖紊乱或与FLT3相关的疾病风险（或易感）的受试者的预防和治疗方法。
• Aryloxypropanolamines, methods of preparation thereof and use of aryloxypropanolamines as medicaments
  申请人：4SC AG

  公开号：EP1947103A1

  公开（公告）日：2008-07-23

  This invention relates to novel aryloxypropanolamines. The invention also relates to the pharmaceutically acceptable salts and solvates containing said compounds, methods for the preparation thereof and to respective synthesis intermediates. Said compounds have agonistic activity at β3 adrenergic receptors and are useful for treatment of ailments influenced by activation of β3 adrenergic receptors.

  本发明涉及新型芳氧基丙醇胺。该发明还涉及含有所述化合物的药学上可接受的盐和溶剂化物，其制备方法以及相应的合成中间体。所述化合物在β3肾上腺素能受体上具有激动作用，并且可用于治疗受到β3肾上腺素能受体激活影响的疾病。
• PHARMACEUTICAL COMPOUNDS
  申请人：Saxty Gordon

  公开号：US20090124610A1

  公开（公告）日：2009-05-14

  Compounds of the formula (I), and salts, solvates, tautomers and N-oxide thereof, wherein TG is selected from groups (1) and (2): wherein the asterisk (*) represents the point of attachment of the group E to the group X; R 1a is an optionally substituted aryl or heteroaryl group; R 1b is hydrogen or a group R1a; X is an optionally substituted bicyclic heterocyclic group having 8 to 12 ring members of which up to 5 are heteroatoms selected from O, N and S; and A, E, R 2 , R 3 , R 4 , Q 1 and Q 2 are as defined in the claims; provided that when E is aryl or heteroaryl, then Q 2 is other than a bond; and further provided that the moiety (a) is other than a group (BG1) or (BG2); wherein (BG1) and (BG2) are each optionally substituted; T is N or CR Z ; J 1 -J 2 is selected from N═C(R Z ), (R Z )C═N, (R Z )N—C(O), (R Z ) 2 C—C(O), N═N and (R Z )C═C(R 6 ); J 4 -J 3 is a group N═C(R Z ) or a group (R Z )N—CO; and R Z is hydrogen or a substituent. The compounds of the formula (I) have PKA and PKB kinase inhibiting activity and are useful in the treatment of cancers.

  公式（I）的化合物及其盐、溶剂化物、互变异构体和N-氧化物，其中TG从（1）和（2）组中选择：其中星号（*）表示E基团连接到X基团的连接点；R1a是可选取代的芳基或杂环芳基基团；R1b是氢或R1a基团；X是具有8至12个环成员的可选取代的双环杂环基团，其中最多5个是O、N和S的杂原子；A、E、R2、R3、R4、Q1和Q2如权利要求所定义；但是当E是芳基或杂环芳基时，Q2不是键；并且进一步提供，所述基团（a）不是（BG1）或（BG2）基团；其中（BG1）和（BG2）均为可选取代基团；T为N或CRZ；J1-J2选自N═C（RZ）、（RZ）C═N、（RZ）N—C（O）、（RZ）2C—C（O）、N═N和（RZ）C═C（R6）；J4-J3是N═C（RZ）基团或（RZ）N—CO基团；RZ是氢或取代基团。公式（I）的化合物具有PKA和PKB激酶抑制活性，并且在治疗癌症方面有用。
• ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS
  申请人：Tasler Stefan

  公开号：US20080249114A1

  公开（公告）日：2008-10-09

  This invention relates to novel aryloxypropanolamines. The invention also relates to the pharmaceutically acceptable salts and solvates containing said compounds, methods for the preparation thereof and to respective synthetic intermediates. Said compounds have agonistic activity at β3 adrenergic receptors and are useful for treatment of ailments influenced by activation of β3 adrenergic receptors.

  本发明涉及新型芳氧基丙醇胺。该发明还涉及含有所述化合物的药学上可接受的盐和溶剂化合物，其制备方法以及相应的合成中间体。所述化合物在β3肾上腺素能受体上具有激动活性，并且可用于治疗受β3肾上腺素能受体激活影响的疾病。