methyl 3-[1-dimethylaminomethylidene]-2-oxocycloheptanecarboxylate | 1172639-06-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 3-[1-dimethylaminomethylidene]-2-oxocycloheptanecarboxylate
• 英文别名: Methyl 3-[1-dimethylamino-methylidene]-2-oxo-cycloheptanecarboxylate；methyl 3-(dimethylaminomethylidene)-2-oxocycloheptane-1-carboxylate
• CAS: 1172639-06-3
• 化学式: C₁₂H₁₉NO₃
• 分子量: 225.288
• InChiKey: FOWCTFGHZSNXIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-[1-dimethylaminomethylidene]-2-oxocycloheptanecarboxylate 、 4-(4-氯苯基)-1H-吡唑-5-胺 在 盐酸 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Novel tricyclic pyrazolopyrimidines as potent and selective GPR119 agonists

  摘要：

  Systematic SAR optimization of the GPR119 agonist lead 1, derived from an internal HTS campaign, led to compound 29. Compound 29 displays significantly improved in vitro activity and oral exposure, leading to GLP1 elevation in acutely dosed mice and reduced glucose excursion in an OGTT study in rats at doses >= 10 mg/kg. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.10.010
• 作为产物：
  描述：

  2-氧代-1-环庚烷甲酸甲酯 、 N,N-二甲基甲酰胺二甲基缩醛 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 3-[1-dimethylaminomethylidene]-2-oxocycloheptanecarboxylate
  参考文献：
  名称：

  Novel tricyclic pyrazolopyrimidines as potent and selective GPR119 agonists

  摘要：

  Systematic SAR optimization of the GPR119 agonist lead 1, derived from an internal HTS campaign, led to compound 29. Compound 29 displays significantly improved in vitro activity and oral exposure, leading to GLP1 elevation in acutely dosed mice and reduced glucose excursion in an OGTT study in rats at doses >= 10 mg/kg. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.10.010

文献信息

• Modulators for amyloid beta
  申请人：Hoffmann-La Roche Inc.

  公开号：US07923450B2

  公开（公告）日：2011-04-12

  The invention relates to compounds of formula wherein R1, R2, R3, R4, X and Y are as defined herein and to pharmaceutically active acid addition salts thereof. The compounds can be used for the treatment of Alzheimer's disease, cerebral amyloid angiopathy, hereditary cerebral hemorrhage with amyloidosis, Dutch-type (HCHWA-D), multi-infarct dementia, dementia pugilistica or Down syndrome.

  本发明涉及式中R1、R2、R3、R4、X和Y如此定义的化合物，以及其药学上活性的酸加盐。这些化合物可用于治疗阿尔茨海默病、脑淀粉样血管病、遗传性脑出血伴有淀粉样变（荷兰型）、多梗塞性痴呆、拳击痴呆或唐氏综合症。
• MODULATORS FOR AMYLOID BETA
  申请人：Baumann Karlheinz

  公开号：US20090181965A1

  公开（公告）日：2009-07-16

  The invention relates to compounds of formula wherein R 1 , R 2 , R 3 , R 4 , X and Y are as defined herein and to pharmaceutically active acid addition salts thereof. The compounds can be used for the treatment of Alzheimer's disease, cerebral amyloid angiopathy, hereditary cerebral hemorrhage with amyloidosis, Dutch-type (HCHWA-D), multi-infarct dementia, dementia pugilistica or Down syndrome.

  本发明涉及公式化合物，其中R1、R2、R3、R4、X和Y如本文所定义，并且其药物活性酸盐。该化合物可用于治疗阿尔茨海默病、脑淀粉样血管病、遗传性脑出血伴有淀粉样变性，荷兰型（HCHWA-D）、多梗塞性痴呆症、拳击痴呆或唐氏综合症。
• Novel tricyclic pyrazolopyrimidines as potent and selective GPR119 agonists
  作者：Mihai Azimioara、Phil Alper、Christopher Cow、Daniel Mutnick、Victor Nikulin、Gerald Lelais、John Mecom、Matthew McNeill、Pierre-Yves Michellys、Zhiliang Wang、Esther Reding、Michael Paliotti、Jing Li、Dingjiu Bao、Jocelyn Zoll、Young Kim、Matthew Zimmerman、Todd Groessl、Tove Tuntland、Sean B. Joseph、Peter McNamara、H. Martin Seidel、Robert Epple

  DOI：10.1016/j.bmcl.2014.10.010

  日期：2014.12

  Systematic SAR optimization of the GPR119 agonist lead 1, derived from an internal HTS campaign, led to compound 29. Compound 29 displays significantly improved in vitro activity and oral exposure, leading to GLP1 elevation in acutely dosed mice and reduced glucose excursion in an OGTT study in rats at doses >= 10 mg/kg. (C) 2014 Elsevier Ltd. All rights reserved.