2-(4-tert-butoxycarbonyl-1-piperazinyl)-3-formylpyridine | 179556-15-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(4-tert-butoxycarbonyl-1-piperazinyl)-3-formylpyridine
• 英文别名: tert-butyl 4-(3-formylpyridin-2-yl)piperazine-1-carboxylate；2-(4-Boc-piperazinyl)-3-formylpyridine；1-(tert-butoxycarbonyl)-4-(3-formyl-2-pyridinyl)piperazine
• CAS: 179556-15-1
• 化学式: C₁₅H₂₁N₃O₃
• 分子量: 291.35
• InChiKey: STZCGGZHFLPSBB-UHFFFAOYSA-N

物化性质

• 沸点：
  443.8±45.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-tert-butoxycarbonyl-1-piperazinyl)-3-formylpyridine 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-(1-哌嗪基)烟醛
  参考文献：
  名称：

  Design, synthesis, and SAR studies on a series of 2-pyridinylpiperazines as potent antagonists of the melanocortin-4 receptor

  摘要：

  A series of 2-pyridinylpiperazines derived from beta-Ala-(2,4-Cl)Phe dipeptide was synthesized for the study of their SARs and possible interactions with the MC4 receptor. Compounds such as 11k (K-i = 6.5 nM) possessed high potency. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.069
• 作为产物：
  描述：

  2-溴-3-吡啶甲醛 、 N-Boc-哌嗪 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以67%的产率得到2-(4-tert-butoxycarbonyl-1-piperazinyl)-3-formylpyridine
  参考文献：
  名称：

  Design, Synthesis, In Vitro, and In Vivo Characterization of Phenylpiperazines and Pyridinylpiperazines as Potent and Selective Antagonists of the Melanocortin-4 Receptor

  摘要：

  Benzylamine and pyridinemethylamine derivatives were synthesized and characterized as potent and selective antagonists of the melanocortin-4 receptor (MC4R). These compounds were also profiled in rodents for their pharmacokinetic properties. Two compounds with diversified profiles in chemical structure, pharmacological activities, and pharmacokinetics, 10 and 12b, showed efficacy in an established murine cachexia model. For example, 12b had a K-i value of 3.4 nM at MC4R, was more than 200-fold selective over MC3R, and had a good pharmacokinetic profile in mice, including high brain penetration. Moreover, 12b was able to stimulate food intake in the tumor-bearing mice and reverse their lean body mass loss. Our results provided further evidence that a potent and selective MC4R antagonist with appropriate pharmacokinetic properties might potentially be useful for the treatment of cancer cachexia.

  DOI：

  10.1021/jm701137s

文献信息

• GLYCINE COMPOUND
  申请人：Yoshihara Kousei

  公开号：US20120184520A1

  公开（公告）日：2012-07-19

  [Problem] The present invention provides a compound which is useful as an active ingredient of a pharmaceutical composition, in particular, a pharmaceutical composition for preventing and/or treating VAP-1-related diseases. [Means for Solution] The present inventors have conducted intensive studies on a compound having a VAP-1 inhibitory activity, and as a result, they have found that a compound of the present invention or a salt thereof exhibits an excellent VAP-1 inhibitory activity and is useful for preventing and/or treating VAP-1-related diseases, in particular, diabetic nephropathy or diabetic macular edema, thereby completing the present invention. The present invention further relates to a pharmaceutical composition, in particular, a pharmaceutical composition for preventing and/or treating VAP-1-related diseases, which comprises the compound of the present invention or a salt thereof, and an excipient.

  本发明提供了一种化合物，该化合物可用作药物组合物的活性成分，特别是用于预防和/或治疗与VAP-1相关的疾病的药物组合物。 本发明的解决方案是，本发明者对具有VAP-1抑制活性的化合物进行了深入研究，结果发现本发明的化合物或其盐表现出优异的VAP-1抑制活性，并且对于预防和/或治疗与VAP-1相关的疾病，特别是糖尿病肾病或糖尿病黄斑水肿，具有用处，从而完成了本发明。本发明还涉及一种药物组合物，特别是用于预防和/或治疗与VAP-1相关的疾病的药物组合物，其包括本发明的化合物或其盐以及赋形剂。
• Alkyl substituted piperadinyl and piperazinyl anti-AIDS compounds
  申请人：Pharmacia & Upjohn Company

  公开号：US05866589A1

  公开（公告）日：1999-02-02

  Anti-AIDS compounds of formula (I) ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6, and R.sub.7 are as defined in the specification and R.sub.8 is alkyl of substituted alkyl.

  化合物的抗艾滋病公式（I）##STR1##其中R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7如规范中定义，R.sub.8是取代烷基的烷基。
• CHEMICAL COMPOUNDS 251
  申请人：Dakin Leslie

  公开号：US20110218182A1

  公开（公告）日：2011-09-08

  The invention relates to chemical compounds of formula (I), and salts thereof. In some embodiments, the invention relates to inhibitors or modulators of PIM-1 and/or PIM-2, and/or PIM-3 protein kinase activity or enzyme function. In still further embodiments, the invention relates to pharmaceutical compositions comprising compounds disclosed herein, and their use in the prevention and treatment of PIM kinase related conditions and diseases, preferably cancer.

  该发明涉及化学式(I)的化合物及其盐。在某些实施例中，该发明涉及PIM-1和/或PIM-2以及/或PIM-3蛋白激酶活性或酶功能的抑制剂或调节剂。在更进一步的实施例中，该发明涉及包含本文披露的化合物的药物组合物，以及它们在预防和治疗PIM激酶相关疾病和疾病，特别是癌症中的用途。
• [EN] ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS<br/>[FR] COMPOSES DE PIPERADINYLE ET PIPERAZINYLE ANTI-SIDA A SUBSTITUTION ALKYLE
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：WO1996018628A1

  公开（公告）日：1996-06-20

  (EN) Anti-AIDS compounds of formula (I), where the aromatic/heteroaromatic ring is bonded to a carbon atom of the R8 substituent are disclosed as well as specific Anti-AIDS pyridines (V).(FR) L'invention se rapporte à des composés anti-SIDA de la formule (I) dans laquelle le noyau aromatique/hétéroaromatique est lié à un atome de carbone du substituant de R8, ainsi qu'à des pyridines (V) spécifiques anti-SIDA.

  抗艾滋病化合物的公式（I）被揭示，其中芳香/杂环芳香环与R8取代基的一个碳原子结合，以及特定的抗艾滋病吡啶（V）。
• Ligands of melanocortin receptors and compositions and methods related thereto
  申请人：Tucci C. Fabio

  公开号：US20050119252A1

  公开（公告）日：2005-06-02

  Compounds which function as melanocortin receptor ligands and having utility in the treatment of melanocortin receptor-based disorders. The compounds have the following structure (I): including stereoisomers, prodrugs, and pharmaceutically acceptable salts thereof, wherein m, n, q, s, R 1 , R 1a , R 1b , R 2 , R 3 , R 4a , R 4b , R 5a , R 5b , X 1 , X 2 , X 3 , X 4 and Ar are as defined herein. Pharmaceutical compositions containing a compound of structure (I), as well as methods relating to the use thereof, are also disclosed.

  这是一种功能为黑素皮质素受体配体的化合物，可用于治疗基于黑素皮质素受体的疾病。该化合物具有以下结构（I）：包括立体异构体，前药和其药学上可接受的盐，其中m，n，q，s，R1，R1a，R1b，R2，R3，R4a，R4b，R5a，R5b，X1，X2，X3，X4和Ar的定义如本文所述。还公开了含有结构（I）化合物的药物组成物，以及与其使用相关的方法。