1H-pyrazole-1-carboxamide hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1H-pyrazole-1-carboxamide hydrochloride
• 英文别名: 1H-pyrazole-carboxamide hydrochloride；pyrazole-1-carboxamide;hydrochloride
• 化学式: C₄H₅N₃O*ClH
• 分子量: 147.564
• InChiKey: HBDVWUMXFHLGTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.23
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-Boc-哌嗪 、 1H-pyrazole-1-carboxamide hydrochloride 在 二异丙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以89%的产率得到tert-butyl 4-carbamimidoylpiperazine-1-carboxylate hydrochloride
  参考文献：
  名称：

  [EN] PYRIDO[2,3-d]PYRIMIDIN-4-ONE COMPOUNDS AS TANKYRASE INHIBITORS
  [FR] COMPOSÉS PYRIDO[2,3-D]PYRIMIDINE-4-ONE UTILISÉS EN TANT QU'INHIBITEURS DE LA TANKYRASE

  摘要：

  Pyrido[2,3-d]pyrimidin-4-one化合物，含有这些化合物的配方以及它们作为坦克瑞酶1和2抑制剂的用途，化学式为(I)。

  公开号：

  WO2015069512A1

文献信息

• Substituted indoles and their use as integrin antagonists
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20020169200A1

  公开（公告）日：2002-11-14

  The present invention relates to novel substituted indole compounds that are antagonists of alpha V (&agr;v) integrins, for example &agr; v &bgr; 3 and &agr; v &bgr; 5 integrins, their pharmaceutically acceptable salts, and pharmaceutical compositions thereof. The compounds may be used in the treatment of pathological conditions mediated by &agr; v &bgr; 3 and &agr; v &bgr; 5 integrins, including such conditions as tumor growth, metastasis, restenosis, osteoporosis, inflammation, macular degeneration, diabetic retinopathy, and rheumatoid arthritis. The compounds have the general formula: 1 where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 14 , D, X, W, a, m, n, i, j, k and v are defined herein.

  本发明涉及新型取代吲哚化合物，其为αV（αv）整合素的拮抗剂，例如αvβ3和αvβ5整合素，其药学上可接受的盐以及其药物组合物。这些化合物可用于治疗由αvβ3和αvβ5整合素介导的病理性状况，包括肿瘤生长、转移、再狭窄、骨质疏松、炎症、黄斑变性、糖尿病视网膜病变和类风湿性关节炎等病症。这些化合物具有以下一般式： 1 其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、D、X、W、a、m、n、i、j、k和v在此处定义。
• Guanidino protease inhibitors
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US05792769A1

  公开（公告）日：1998-08-11

  Compounds of the formula: ##STR1## wherein R.sup.1 --R.sup.4, R.sup.7 --R.sup.8, R.sup.a, R.sup.b, R.sup.c, Y, Z, n and m are set forth in the specification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof, that inhibit a number of proteolytic enzymes are described. Also described are methods for preparing the compounds of Formula I.

  本文描述了具有以下公式的化合物：##STR1##其中R.sup.1 --R.sup.4，R.sup.7 --R.sup.8，R.sup.a，R.sup.b，R.sup.c，Y，Z，n和m如规范中所述，以及其水合物、溶剂合物或药用可接受的盐，这些化合物抑制了多种蛋白酶酶。还描述了制备公式I化合物的方法。
• Design, synthesis and biological evaluation of non-peptide PAR1 thrombin receptor antagonists based on small bifunctional templates: arginine and phenylalanine side chain groups are keys for receptor activity
  作者：Maria-Eleni Androutsou、Mahmoud Saifeddine、Morley D. Hollenberg、John Matsoukas、George Agelis

  DOI：10.1007/s00726-009-0306-z

  日期：2010.4

  In the present study, we report the synthesis and biological evaluation of a series of new non-peptide PAR1 mimetic receptor antagonists, based on conformational analysis of the S42FLLR46 tethered ligand (TL) sequence of PAR1. These compounds incorporate the key pharmacophore groups in the TL sequence, guanidyl, amino and phenyl, which are essential for triggering receptor activity. Compounds 5 and

  在本研究中，我们报告了一系列新的非肽PAR的合成和生物学评价1模拟物受体拮抗剂，基于S的构象分析42 FLLR 46拴系配体（TL）PAR的序列1。这些化合物在TL序列中结合了关键的药效基团，胍基，氨基和苯基，这对于触发受体活性至关重要。在培养的人HEK细胞测定中，化合物5和15（50-100μM）抑制了TFLLR-酰胺（10μM）和凝血酶介导的（0.5和1 U / ml； 5和10μM）钙信号传导。
• 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20180104242A1

  公开（公告）日：2018-04-19

  The present invention relates to a 4-(2-amino-tetrahydronaphthaleneyl)pyrimidine derivative, a preparation method thereof, and a pharmaceutical composition for the prevention or treatment of cancer comprising the same as an active ingredient. The 4-(2-amino-tetrahydronaphthaleneyl)pyrimidine derivative, the optical isomer thereof, or the pharmaceutically acceptable salt thereof of the present invention is very effective in suppressing anaplastic lymphoma kinase (ALK) activity and as a result it can improve the effectiveness of treatment on cancer cells having anaplastic lymphoma kinase (ALK) fusion proteins such as EML4-ALK and NPM-ALK, so that it can be effectively used as a pharmaceutical composition for preventing or treating cancer.

  本发明涉及一种4-(2-氨基-四氢萘基)嘧啶衍生物，其制备方法以及包含其作为活性成分的用于预防或治疗癌症的药物组合物。本发明的4-(2-氨基-四氢萘基)嘧啶衍生物及其光学异构体或其药用可接受的盐对抑制间变性淋巴瘤激酶（ALK）活性非常有效，从而可以提高对具有间变性淋巴瘤激酶（ALK）融合蛋白如EML4-ALK和NPM-ALK的癌细胞的治疗效果，因此可以有效地作为预防或治疗癌症的药物组合物使用。
• Design, Synthesis, and Modeling of Novel Cyclic Thrombin Receptor-Derived Peptide Analogues of the Ser⁴²-Phe-Leu-Leu-Arg⁴⁶ Motif Sequence with Fixed Conformations of Pharmacophoric Groups:  Importance of a Phe/Arg/NH₂ Cluster for Receptor Activation and Implications in the Design of Nonpeptide Thrombin Receptor Mimetics
  作者：Kostas Alexopoulos、Dimitris Panagiotopoulos、Thomas Mavromoustakos、Panagiotis Fatseas、Maria Christina Paredes-Carbajal、Dieter Mascher、Stefan Mihailescu、John Matsoukas

  DOI：10.1021/jm0001525

  日期：2001.2.1

  The novel cyclic analogues cyclo(Phe-Leu-Leu-Arg-epsilonLys-Dap) (1) and cyclo(D-Phe-Leu-Leu-Arg-epsilonLys-Dap) (2), which differ only in the absolute conformation of Phe, have been designed and synthesized based upon the minimal peptide sequence Phe-Leu-Leu-Arg which has been found to exhibit biological activity for the thrombin receptor. Compound 1, in which all amino acids have the L-configuration

  新颖的环状类似物环（Phe-Leu-Leu-Arg-epsilonLys-Dap）（1）和环（D-Phe-Leu-Leu-Arg-epsilonLys-Dap）（2），仅在根据最小的肽序列Phe-Leu-Leu-Arg设计和合成了Phe，该序列已发现对凝血酶受体具有生物活性。与其中Phe残基为D-构型的化合物2相比，其中所有氨基酸均具有L-构型的化合物1在大鼠主动脉松弛和大鼠纵向肌肉生物测定中表现出更高的活性。这归因于化合物1中Phe和Arg的空间接近性，而这在其非对映体化合物2中不存在，如NMR研究和计算分析的结合所描绘的。结构活性研究（SAR）表明，Phe和Arg侧链与伯氨基一起形成了一个主动识别基序，环状肽中存在另一个伯氨基会增强该识别基序。我们建议可比的环状构象可能是线性TRAP与凝血酶受体相互作用的原因。通过合成四种活性非肽凝血酶受体模拟物测试了该命题的有效性。发现了（S）-N-