1-(tert-butyl) 4-ethyl 5-amino-3,6-dihydropyridine-1,4(2H)-dicarboxylate | 1005333-24-3

• 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: 1-(tert-butyl) 4-ethyl 5-amino-3,6-dihydropyridine-1,4(2H)-dicarboxylate
• 英文别名: 1-tert-butyl 4-ethyl 3-amino-5,6-dihydropyridine-1,4(2H)-dicarboxylate；ethyl 3-amino-1-tert-butoxycarbonyl-1,2,5,6-tetrahydropyridine-4-carboxylate；5-amino-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester；5-amino-1,2,3,6-tetrahydropyridine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester；1-O-tert-butyl 4-O-ethyl 5-amino-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
• CAS: 1005333-24-3
• 化学式: C₁₃H₂₂N₂O₄
• 分子量: 270.329
• InChiKey: NILPOAIYSCWZDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  81.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(tert-butyl) 4-ethyl 5-amino-3,6-dihydropyridine-1,4(2H)-dicarboxylate 在 甲醇 、 sodium methylate 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 7-(tert-butyl) 3-methyl 4-hydroxy-2-oxo-2,5,6,8-tetrahydro-1,7-naphthyridine-3,7(1H)-dicarboxylate
  参考文献：
  名称：

  [EN] IMIDAZOLE AND TRIAZOLE KRAS INHIBITORS
  [FR] INHIBITEURS D'IMIDAZOLE ET TRIAZOLE KRAS

  摘要：

  本发明涉及一种公式（I）的化合物，使用该化合物抑制KRAS活性的方法和包含此类化合物的药物组合物。这些化合物可用于治疗、预防或缓解与KRAS活性相关的疾病或障碍，如癌症。

  公开号：

  WO2022204112A1
• 作为产物：
  描述：

  1-tert-butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以100%的产率得到1-(tert-butyl) 4-ethyl 5-amino-3,6-dihydropyridine-1,4(2H)-dicarboxylate
  参考文献：
  名称：

  Discovery of a Brain-Penetrant S1P₃-Sparing Direct Agonist of the S1P₁ and S1P₅ Receptors Efficacious at Low Oral Dose

  摘要：

  2-Amino-2-(4-octylphenethyl)propane-1,3-diol 1 (fingolimod, FTY720) has been recently marketed in the United States for the treatment of patients with remitting relapsing multiple sclerosis (RRMS). Its efficacy has been primarily linked to the agonism on T cells of S1P(1), one of the five sphingosine 1-phosphate (S1P) G-protein-coupled receptors, while its cardiovascular side effects have been associated with activity at S1P(3). Emerging data suggest that the ability of this molecule to cross the blood-brain barrier and to interact with both S1P(1) and S1P(5) in the central nervous system (CNS) may contribute to its efficacy in treating patients with RAMS. We have recently disclosed the structure of an advanced, first generation S1P(3)-sparing S1P(1) agonist, a zwitterion with limited CNS exposure. In this Article, we highlight our strategy toward the identification of CNS-penetrant S1P(3)-sparing S1P(1) and S1P5 agonists resulting in the discovery of 5-(3-{2-[2-hydroxy-1- (hydroxymethyl)ethyl]-5-methyl-1,2,3,4-tetrahydro-6-isoquinolinyl}-1,2,4-oxadiazol-5-yl)-2-[(1-methylethyl)oxy]benzonitrile 15. Its exceptional in vivo potency and good pharmacokinetic properties translate into a very low predicted therapeutic dose in human (< 1 mg p.o. once daily).

  DOI：

  10.1021/jm200609t

文献信息

• [EN] FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES<br/>[FR] DÉRIVÉS DE PYRIMIDONE À CYCLES FUSIONNÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B OU DE MALADIES INDUITES PAR LE VIRUS DE L'HÉPATITE B
  申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

  公开号：WO2020182990A1

  公开（公告）日：2020-09-17

  The present application relates to compounds according to Formula (I), pharmaceutical compositions comprising at least one of said compounds, their use as a medicament, and their use in treating chronic hepatitis B virus (HBV) infection. The disclosure further pertains to methods for preparing compounds according to Formula (I).

  本申请涉及按照式(I)的化合物，包括至少一种所述化合物的药物组合物，其作为药物的用途，以及其在治疗慢性乙型肝炎病毒（HBV）感染中的用途。该公开还涉及按照式(I)制备化合物的方法。
• INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE
  申请人：Hurley Timothy Brian

  公开号：US20090325948A1

  公开（公告）日：2009-12-31

  The present invention relates to compounds that are selective and/or potent inhibitors of UPPS. In addition to compounds which inhibit UPPS, the invention also provides pharmaceutical compositions comprising these compounds and methods of using these compounds for treating bacterial disease, such as bacterial infection.

  本发明涉及选择性和/或有效抑制UPPS的化合物。除了抑制UPPS的化合物外，本发明还提供包含这些化合物的药物组合物以及使用这些化合物治疗细菌性疾病，如细菌感染的方法。
• PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF
  申请人：Boyle Craig D.

  公开号：US20100190687A1

  公开（公告）日：2010-07-29

  The present invention relates to Pyrimidinone Derivatives, compositions comprising a Pyrimidinone Derivative, and methods of using the Pyrimidinone Derivatives for treating or preventing obesity, diabetes, a metabolic disorder, a cardiovascular disease or a disorder related to the activity of G protein-coupled receptor 119 (“GPR119”) in a patient.

  本发明涉及嘧啶酮衍生物，包含嘧啶酮衍生物的组合物，以及使用嘧啶酮衍生物治疗或预防肥胖、糖尿病、代谢紊乱、心血管疾病或与G蛋白偶联受体119（“GPR119”）活性相关的疾病的方法。
• COMPOUND HAVING BICYCLIC PYRIMIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION COMPRISING THE COMPOUND
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP2078719A1

  公开（公告）日：2009-07-15

  The present invention relates to a bicyclic pyrimidine compound of the following formula (I) or a salt thereof. wherein R1 is lower alkyl, cyclic lower alkyl. etc.; R2 is H, lower alkyl, lower alkenyl, etc.; R3 is H, lower alkyl, lower alkenyl, etc.; X is O, S or -N(R4)-; R4 is H or lower alkyl; or R2 and R4 may combine each other to form cyclic amino; Y is amido, keto, sulfonyl, etc.; R5 is H or lower alkyl; Z is O or S; m and n are 1 or 2. Said compound (I) or a salt thereof have MGAT inhibitory activity, and are useful as an agent for treatment or prophylaxis of adiposity, metabolic syndromes, hyperlipidemia, hyper neutral lipemia, hyper VLDL-mia, hyper fatty acidemia, diabetes mellitus, arteriosclerosis.

  本发明涉及下式（I）的双环嘧啶化合物或其盐。 其中 R1 是低级烷基、环状低级烷基等；R2 是 H、低级烷基、低级烯基等；R3 是 H、低级烷基、低级烯基等；X 是 O、S 或 -N(R4)-；R4 是 H 或低级烷基；或 R2 和 R4 可相互结合形成环状氨基；Y 是氨基、酮基、磺酰基等；R5 是 H 或低级烷基；Z 是 O 或 S；m 和 n 是 1 或 2。所述化合物(I)或其盐具有 MGAT 抑制活性，可用于治疗或预防肥胖症、代谢综合征、高脂血症、高中性脂血症、高 VLDL-血症、高脂肪酸血症、糖尿病、动脉硬化。
• WO2008/130581
  申请人：——

  公开号：——

  公开（公告）日：——