N-methyl-4-[({4-[(3-methylphenyl)amino]thieno[2,3-d]pyridazin-7-yl}oxy)methyl]-2-pyridinecarboxamide | 332012-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-methyl-4-[({4-[(3-methylphenyl)amino]thieno[2,3-d]pyridazin-7-yl}oxy)methyl]-2-pyridinecarboxamide
• 英文别名: N-methyl-4-[[4-(3-methylanilino)thieno[2,3-d]pyridazin-7-yl]oxymethyl]pyridine-2-carboxamide
• CAS: 332012-89-2
• 化学式: C₂₁H₁₉N₅O₂S
• 分子量: 405.48
• InChiKey: BSEADEATBQYGKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] PIPERAZINE THIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF TAUOPATHIES SUCH AS ALZHEIMER'S DISEASE<br/>[FR] DÉRIVÉS DE PIPÉRAZINE THIAZOLE UTILES DANS LE TRAITEMENT DES TAUOPATHIES TELLES QUE LA MALADIE D'ALZHEIMER
  申请人：REMYND NV

  公开号：WO2013024168A1

  公开（公告）日：2013-02-21

  The present invention relates to a compound of formula (IA), wherein G1 is lower alkyl; lower alkyl substituted by one or more halogens; cycloalkyl; tetrahydropyran-4-yl; phenethyl; phenethyl substituted by one or more halogens; phenoxymethyl; phenoxymethyl substituted by one or more halogens; benzyloxyethyl; benzyloxy-ethyl substituted by one or more halogens; or is -NR2R3; R2 is hydrogen or lower alkyl; R3 is lower alkyl; tetrahydropyran-4-yl; -CH2-cycloalkyl; or cycloalkyl optionally substituted by lower alkyl substituted by one or more halogens; or R2 and R3 form together with the N-atom to which they are attached a heterocycloalkyl group with 4 or 5 carbon atoms, which is optionally substituted by one or more substituents selected from halogen; or lower alkyl substituted by one or more halogens; X is -CH2- or -(CH2)2-; Ar is phenyl or pyridinyl; R4 is halogen; lower alkyl; lower alkyl substituted by one or more halogens; or lower alkoxy; n is 1 or 2; or to a pharmaceutically active salt thereof, to a stereoisomeric form, including an individual diastereoisomer or enantiomer of the compound of formula (IA) as well as to a racemic or non-racemic mixture thereof. The present invention also relates to the use of a compound of formula (IA) for treating certain neurodegenerative disorders characterized by cytotoxic TAU misfolding and/or aggregation.

  本发明涉及一种具有以下结构的化合物（IA），其中G1是较低的烷基；较低的烷基上被一个或多个卤素取代；环烷基；四氢吡喃-4-基；苯乙基；一个或多个卤素取代的苯乙基；苯氧甲基；一个或多个卤素取代的苯氧甲基；苄氧乙基；一个或多个卤素取代的苄氧乙基；或者是-NR2R3；R2是氢或较低的烷基；R3是较低的烷基；四氢吡喃-4-基；-CH2-环烷基；或者是环烷基，可选地被一个或多个卤素取代的较低烷基取代；或者R2和R3与它们连接的N原子一起形成一个由4或5个碳原子组成的杂环烷基基团，该基团可选地被一个或多个卤素选自取代；或者一个或多个卤素取代的较低烷基；X是- -或-( )2-；Ar是苯基或吡啶基；R4是卤素；较低的烷基；一个或多个卤素取代的较低烷基；或者较低的烷氧基；n是1或2；或者是其药用活性盐，立体异构体形式，包括化合物（IA）的单个对映异构体或对映体，以及其消旋或非消旋混合物。本发明还涉及使用化合物（IA）治疗由细胞毒性TAU蛋白错误折叠和/或聚集特征的某些神经退行性疾病。
• Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE)
  申请人：Bischoff Paul Francois

  公开号：US20060178383A1

  公开（公告）日：2006-08-10

  The present invention is directed to novel 2-amino-3,4-dihydro-quinazoline derivatives, pharmaceutical compositions containing them and their use in the treatment of Alzheimer's disease (AD) and related disorders. The compounds of the invention are inhibitors of β-secretase, also known as β-site cleaving enzyme and BACE.

  本发明涉及新型2-氨基-3,4-二氢喹唑啉衍生物、含有它们的制药组合物以及它们在治疗阿尔茨海默病（AD）和相关疾病中的应用。本发明的化合物是β-秘鲁酶的抑制剂，也称为β-位点裂解酶和BACE。
• NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE)
  申请人：Baxter E. Ellen

  公开号：US20070259898A1

  公开（公告）日：2007-11-08

  The present invention is directed to novel 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives, pharmaceutical compositions containing them and their use in the treatment of Alzheimer's disease (AD) and related disorders. The compounds of the invention are inhibitors of β-secretase, also known as β-site cleaving enzyme and BACE, BACE1, Asp2 and memapsin2.

  本发明涉及新颖的2-氨基-3,4-二氢-吡啶[3,4-d]嘧啶衍生物，含有它们的制药组合物以及它们在治疗阿尔茨海默病（AD）和相关疾病中的应用。本发明的化合物是β-分泌酶的抑制剂，也称为β-位点剪切酶和BACE，BACE1，Asp2和memapsin2。
• PIPERAZINE THIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF TAUOPATHIES SUCH AS ALZHEIMER'S DISEASE
  申请人：Griffioen Gerard

  公开号：US20140206699A1

  公开（公告）日：2014-07-24

  The present invention relates to a compound of formula (IA), wherein G 1 is lower alkyl; lower alkyl substituted by one or more halogens; cycloalkyl; tetrahydropyran-4-yl; phenethyl; phenethyl substituted by one or more halogens; phenoxymethyl; phenoxymethyl substituted by one or more halogens; benzyloxyethyl; benzyloxy-ethyl substituted by one or more halogens; or is —NR 2 R 3 ; R 2 is hydrogen or lower alkyl; R 3 is lower alkyl; tetrahydropyran-4-yl; —CH 2 -cycloalkyl; or cycloalkyl optionally substituted by lower alkyl substituted by one or more halogens; or R 2 and R 3 form together with the N-atom to which they are attached a heterocycloalkyl group with 4 or 5 carbon atoms, which is optionally substituted by one or more substituents selected from halogen; or lower alkyl substituted by one or more halogens; X is —CH 2 — or —(CH 2 ) 2 —; Ar is phenyl or pyridinyl; R 4 is halogen; lower alkyl; lower alkyl substituted by one or more halogens; or lower alkoxy; n is 1 or 2; or to a pharmaceutically active salt thereof, to a stereoisomeric form, including an individual diastereoisomer or enantiomer of the compound of formula (IA) as well as to a racemic or non-racemic mixture thereof. The present invention also relates to the use of a compound of formula (IA) for treating certain neurodegenerative disorders characterized by cytotoxic TAU misfolding and/or aggregation.

  本发明涉及式（IA）的化合物，其中G1是低碳基；被一个或多个卤素取代的低碳基；环烷基；四氢吡喃-4-基；苯乙基；被一个或多个卤素取代的苯乙基；苯氧甲基；被一个或多个卤素取代的苯氧甲基；苄氧乙基；被一个或多个卤素取代的苄氧乙基；或为-NR2R3；R2为氢或低碳基；R3为低碳基；四氢吡喃-4-基；-CH2-环烷基；或环烷基，该环烷基可被一个或多个被一个或多个卤素取代的低碳基取代；或R2和R3与它们附着的N原子一起形成一个有4或5个碳原子的杂环烷基，该杂环烷基可被一个或多个取代基选自卤素；或被一个或多个卤素取代的低碳基取代；X为- -或-( )2-；Ar为苯基或吡啶基；R4为卤素；低碳基；被一个或多个卤素取代的低碳基；或低碳氧基；n为1或2；或其药物活性盐，立体异构体形式，包括化合物（IA）的单个对映异构体或对映体以及它们的外消旋或非外消旋混合物。本发明还涉及使用式（IA）的化合物治疗某些神经退行性疾病，其特征为细胞毒性TAU错折和/或聚集。
• Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives
  申请人：Adams E. Paul

  公开号：US20050019424A1

  公开（公告）日：2005-01-27

  The invention relates generally to the use of certain substituted fused or unfused pyridazine or pyridine derivatives which are KDR inhibitors in combination with other chemotherapeutic agents for use in treatment of diseases associated with abnormal angiogenesis and/or hyperpermeability and/or hyperproliferative diseases, such as cancer.

  本发明总体上涉及某些取代的融合或未融合哒嗪或吡啶衍生物的用途，这些衍生物是 KDR 抑制剂，与其他化疗药物联用，用于治疗与异常血管生成和/或高渗透性和/或高增殖性疾病（如癌症）相关的疾病。