(piperidin-1-yl)carboxamidine | 64269-44-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (piperidin-1-yl)carboxamidine
• 英文别名: Piperidinyl guanidine；2-piperidin-1-ylguanidine
• CAS: 64269-44-9
• 化学式: C₆H₁₄N₄
• 分子量: 142.204
• InChiKey: IKYUABIQARSVCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (piperidin-1-yl)carboxamidine 、 methyl 3-[4-methyl-2-(morpholin-4-yl)pyrimidin-5-yl]-3-oxopropionate 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以67%的产率得到6-[4-methyl-2-(morpholin-4-yl)pyrimidin-5-yl]-2-(piperidin-1-yl)-3H-pyrimidin-4-one
  参考文献：
  名称：

  Preparation and synthetic scope of 3-(4-methyl-2-R-pyrimidin-5-yl)-3-oxopropionic esters

  摘要：

  2-R-5-乙酰基-4-甲基嘧啶与碳酸二甲酯缩合生成了一系列3-(2-R-4-甲基嘧啶-5-基)-3-氧代丙酸酯，这些酯与(哌啶-1-基)脲和芳基胍反应得到2-R′-6-(2-R-4-甲基嘧啶-5-基)-3H-嘧啶-4-酮。3-(2-R-4-甲基嘧啶-5-基)-3-氧代丙酸酯与肼反应生成3-(2-R-4-甲基嘧啶-5-基)-2-R″-1,2-二氢吡唑-3-酮。

  DOI：

  10.1007/s11172-014-0720-6

文献信息

• Process for preparing intermediates for thrombin inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP0832879A1

  公开（公告）日：1998-04-01

  A process is provided for preparing intermediates of the structure wherein Rpg is preferably =CHC6H5; and P.G. is a protecting group CBZ or BOC, wherein a protected guanylpyrazole is reacted with an azacycloalkyl, azacycloalkenyl or azaheteroalkyl derivative (such as a piperidine derivative) in the presence of a DBU catalyst. The resulting intermediate may be used as a starting material for preparing thrombin inhibitors.

  提供一种制备中间体的过程，其中Rpg最好为=CHC6H5；P.G.是保护基CBZ或BOC，其中受保护的guanylpyrazole在DBU催化剂存在下与azacycloalkyl、azacycloalkenyl或azaheteroalkyl衍生物（如哌啶衍生物）反应。得到的中间体可以用作制备凝血酶抑制剂的起始物质。
• [EN] GLYCOPROTEIN IIb/IIIa ANTAGONISTS<br/>[FR] ANTAGONISTES DE LA GLYCOPROTEINE IIb/IIIa
  申请人：ELI LILLY AND COMPANY

  公开号：WO1996022288A1

  公开（公告）日：1996-07-25

  (EN) This invention relates to certain bicyclic compounds having a nucleus formed of two fused six membered rings, for example, benzopyran, isoquinoline, isoquinolone, tetrahydronaphthalene, dihydronaphthalene, or tetralone, substituted with both basic and acidic functionality, which are useful in inhibition of platelet aggregation.(FR) Cette invention se rapporte à certains composés bicycliques possédant un noyau constitué de deux cycles hexagonaux fusionnés, par exemple, benzopyrane, isoquinoline, isoquinolone, tétrahydronaphtalène, dihydronaphtalène ou tétralone, remplacés par une fonctionnalité à la fois basique et acide. Ces composés sont utilisés dans l'inhibition de l'agrégation plaquettaire.

  该发明涉及某些具有由两个融合的六元环组成的核的双环化合物，例如苯并吡喃、异喹啉、异喹啉酮、四氢萘、二氢萘或四酮，被基础和酸性官能团取代，可用于抑制血小板聚集。
• Therapeutic guanidines
  申请人：Goldin M. Stanley

  公开号：US20070265348A1

  公开（公告）日：2007-11-15

  The present invention provides therapeutically useful substituted guanidines, and methods of treatment and pharmaceutical compositions that utilize or comprise one or more of such guanidines.

  本发明提供了具有治疗作用的取代胍，以及利用或包含其中一种或多种胍的治疗方法和药物组合物。
• Modulated guanidine-containing polymers or nanoparticles
  申请人：Moon Joong Ho

  公开号：US10568902B2

  公开（公告）日：2020-02-25

  A modulated guanidine substituted polymer or nanoparticle has a guanidine moiety or on a plurality of repeating units of a polymer or on the surface of a nanoparticle where the guanidine moiety is modulated as a substituted amidinourea or amidinocarbamate or salt thereof. The modulated guanidine substituted polymer or nanoparticle can be prepared by direct amination of a N-Boc protected guanidine substituted conjugated polymer or N-Boc protected guanidine substituted nanoparticle, where an amine or alcohol is combined in solution or suspension with the protected conjugated polymer or nanoparticle and the resulting mixture is heated. The modulated guanidine substituted polymer or nanoparticle can be used in a cancer treatment formulation.

  调制胍取代聚合物或纳米粒子具有胍基，或位于聚合物的多个重复单元上，或位于纳米粒子的表面，其中胍基被调制为取代的脒基脲或脒基氨基甲酸酯或其盐。调制胍基取代的聚合物或纳米粒子可通过直接胺化 N-Boc 保护的胍基取代的共轭聚合物或 N-Boc 保护的胍基取代的纳米粒子来制备，胺或醇在溶液或悬浮液中与保护的共轭聚合物或纳米粒子结合，并加热所得混合物。调制后的胍基取代聚合物或纳米粒子可用于癌症治疗配方。
• Biguanide compound and use thereof
  申请人：ImmunoMet Therapeutics Inc.

  公开号：US10626085B2

  公开（公告）日：2020-04-21

  The present invention relates to a guanidine compound and a use thereof, and more specifically, to a guanidine derivative showing excellent effects of inhibiting cancer cell proliferation, cancer metastasis, and cancer recurrence; a preparation method thereof; and a pharmaceutical composition containing the same as an active ingredient. Compared to existing drugs, the guanidine derivative according to the present invention shows excellent effects of inhibiting cancer cell proliferation, cancer metastasis, and cancer recurrence even with small doses, and may thus be effectively used in preventing or treating various cancers such as uterine cancer, breast cancer, stomach cancer, brain cancer, rectal cancer, colorectal cancer, lung cancer, skin cancer, blood cancer, liver cancer, etc., inhibiting cancer cell proliferation and cancer metastasis.

  本发明涉及一种胍类化合物及其用途，更具体地说，涉及一种在抑制癌细胞增殖、癌症转移和癌症复发方面具有卓越效果的胍类衍生物；其制备方法；以及一种以其为有效成分的药物组合物。与现有药物相比，根据本发明的胍类衍生物即使剂量很小，也能显示出极佳的抑制癌细胞增殖、癌转移和癌症复发的效果，因此可有效用于预防或治疗各种癌症，如子宫癌、乳腺癌、胃癌、脑癌、直肠癌、大肠癌、肺癌、皮肤癌、血癌、肝癌等，抑制癌细胞增殖和癌转移。