tert-butyl 4-isopropyl-3,6-dihydropyridine-1(2H)-carboxylate

• 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: tert-butyl 4-isopropyl-3,6-dihydropyridine-1(2H)-carboxylate
• 英文别名: tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
• 化学式: C₁₃H₂₃NO₂
• 分子量: 225.331
• InChiKey: ROSJNRLMUISTEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-叔丁氧羰基-4-哌啶酮 在 potassium phosphate 、 Di-tert-butyl((2S,3S)-3-(tert-butyl)-4-methoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide 、 [Pd(cinnamyl)Cl]₂ 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 15.0h， 生成 tert-butyl 4-isopropyl-3,6-dihydropyridine-1(2H)-carboxylate
  参考文献：
  名称：

  芳基/烯基三氟甲磺酸酯与无环仲烷基硼酸的高效交叉偶联

  摘要：

  芳基-仲烷基与芳基磺酸酯作为偶联伙伴的交叉偶联仍然是一个巨大的挑战。首次实现了芳基/烯基三氟甲磺酸酯与无环仲烷基硼酸之间的有效交叉偶联，从而以良好或优异的收率提供了一系列空间上拥挤的无环仲烷基芳烃/烯烃。使用空间庞大的P，P O配体L1 / L2对于高收率和选择性至关重要。该方法实现了男性避孕药和PAF拮抗剂棉酚的关键中间体的简明和4步合成。

  DOI：

  10.1039/c7ob02531a

文献信息

• [EN] SUBSTITUTED TRICYCLIC COMPOUNDS<br/>[FR] COMPOSÉS TRICYCLIQUES SUBSTITUÉS
  申请人：LUPIN LTD

  公开号：WO2021105960A1

  公开（公告）日：2021-06-03

  Disclosed are compounds of the general formula (I), its tautomeric form, its stereoisomer, its pharmaceutically acceptable salt, its polymorph, or solvate thereof, Formula (I) wherein, ring A, R1 to R5, X, Y, m, and n are as defined herein, for use as SOS1 inhibitors in the treatment of proliferative, infectious and RASopathy diseases or disorders. Also disclosed are methods of synthesizing the compound of formula I, pharmaceutical compositions containing the compound of formula I, method of treatment of proliferative, infectious and RASopathy diseases or disorder, for example, a cancer, by administering the said compound and combinations of the compound of formula I with other active ingredients.

  揭示了通式（I）的化合物，其互变异构体，其立体异构体，其药用可接受盐，其多晶形式，或其溶剂合物，通式（I）中，环A，R1至R5，X，Y，m和n如本文所定义，用作治疗增殖性、传染性和RAS病或紊乱的SOS1抑制剂。还揭示了合成通式I化合物的方法，含有通式I化合物的药物组合物，治疗增殖性、传染性和RAS病或紊乱的方法，例如，通过给予所述化合物和通式I化合物与其他活性成分的组合物。
• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Weinstein David S.

  公开号：US20090075995A1

  公开（公告）日：2009-03-19

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including inflammatory and immune diseases, having the structure of formula (I): an enantiomer, diastereomer, or tautomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; A is a 5- to 8-membered carbocyclic ring or a 5- to 8-membered heterocyclic ring; B is a cycloalkyl, cycloalkenyl, aryl, heterocyclo, or heteroaryl ring, wherein each ring is fused to the A ring on adjacent atoms and optionally substituted by one to four groups which are the same or different and are independently selected from R 5 , R 6 , R 7 , and R 8 ; J 1 , J 2 , and J 3 are at each occurrence the same or different and are independently -A 1 QA 2 -; Q is a bond, O, S, S(O), or S(O) 2 ; A 1 and A 2 are the same or different and are at each occurrence independently selected from a bond, C 1-3 alkylene, substituted C 1-3 alkylene, C 2-4 alkenylene, and substituted C 2-4 alkenylene, provided that A 1 and A 2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R 1 to R 11 are as defined herein. Also provided are pharmaceutical compositions and methods of treating inflammatory- or immune-associated diseases and obesity and diabetes employing said compounds.

  提供了一系列新颖的非甾体化合物，这些化合物在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病中很有用，包括炎性和免疫疾病，具有以下结构式（I）： 其对应的光学异构体、对映异构体或互变异构体，或其前药酯，或其药用可接受盐，其中： Z是杂环或杂芳基； A是一个5至8成员的碳环或一个5至8成员的杂环； B是一个环烷基、环烯基、芳基、杂环或杂芳基环，其中每个环都与A环上的相邻原子融合，并且可以选择性地被一个到四个独立选自R5、R6、R7和R8的相同或不同的组取代； J1、J2和J3每次出现时相同或不同，独立地选自-A1QA2-；Q是键、O、S、S(O)或S(O)2；A1和A2相同或不同，每次出现时独立地选自键、C1-3烷基、取代的C1-3烷基、C2-4烯基和取代的C2-4烯基，前提是A1和A2的选择使得环A是一个5至8成员的碳环或杂环； R1至R11如本文所述定义。 还提供了使用这些化合物的药物组合物和治疗炎性疾病、免疫相关疾病、肥胖和糖尿病的方法。
• Novel Heterocyclic Compounds as Bromodomain Inhibitors
  申请人：Liu Shuang

  公开号：US20140179648A1

  公开（公告）日：2014-06-26

  The present disclosure relates to compounds, which are useful for inhibition of BET protein function by binding to bromodomains, and their use in therapy.

  本公开涉及一些化合物，这些化合物通过结合溴结构域对BET蛋白功能进行抑制，并且它们在治疗中的应用。
• HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF
  申请人：Merck Patent GmbH

  公开号：US20160096834A1

  公开（公告）日：2016-04-07

  The present invention relates to imidazo pyridine compounds, and pharmaceutically acceptable compositions thereof, useful as BTK inhibitors.

  本发明涉及咪唑吡啶化合物及其药学上可接受的组合物，用作BTK抑制剂。
• Piperazine derivatives and methods of use
  申请人：Chen Jian J.

  公开号：US20090054460A1

  公开（公告）日：2009-02-26

  Selected compounds are effective for treatment of pain and diseases, such as inflammation mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable derivatives thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving pain, inflammation, and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  选定的化合物对于治疗疼痛和疾病，例如炎症介导的疾病，具有有效的作用。本发明涵盖了新颖的化合物，类似物，前药和其药学上可接受的衍生物，制药组合物以及预防和治疗涉及疼痛，炎症等疾病和其他疾病或病况的方法。该发明还涉及制备这些化合物的方法以及在这些方法中有用的中间体。