5-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine Dihydrochloride Dihydrate

被引：0
|
作者：
Kozanecka-Okupnik, Weronika [1 ]
Wurst, Klaus [2 ]
Neuner, Sandro [2 ]
Nerdinger, Sven [3 ]
Gelbrich, Thomas [4 ]
机构：
[1] Selvita Serv Sp zoo, Selvita Grp, Bobrzynskiego 14, PL-30348 Krakow, Poland
[2] Univ Innsbruck, Inst Gen Theoret & Inorgan Chem, Innrain 80-82, A-6020 Innsbruck, Austria
[3] Sandoz GmbH, Biochemiestr 10, A-6250 Kundl, Austria
[4] Univ Innsbruck, Inst Pharm, Innrain 52c, A-6020 Innsbruck, Austria
来源：
MOLBANK | 2023年 / 2023卷 / 02期
关键词：
crystal structure; hydrate; hydrogen bonding; kinase inhibitor; pharmaceuticals;
D O I：
10.3390/M1673
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
The dihydrochloride salt of pexidartinib was synthesized and the crystal structure of its dihydrate was determined from single crystal data. The asymmetric unit consists of one formula unit. In the pexidartinib molecule, the N atom of the central pyridine ring and the pyridine-N atom of the pyrrolopyridine group are both protonated. The pexidartinib molecule forms N-H & BULL;& BULL;& BULL;O and N-H & BULL;& BULL;& BULL;Cl interactions with neighboring water molecules and chloride ions, respectively. Water/chloride (O-H & BULL;& BULL;& BULL;Cl) and water/water (O-H & BULL;& BULL;& BULL;O) interactions are also observed. Collectively, these intermolecular interactions result in a complex H-bonded framework structure.
引用
收藏
页数：4
相关论文
共 50 条
  • [21] Diacylhydrazine Derivatives of 2-(5-(Pyridin-3-yl)-2H-Tetrazol-2-yl)Acetohydrazide and 2-(5-(Pyridin-4-yl)-2H-Tetrazol-2-yl)Acetohydrazide as Potential Inhibitors of Nucleotide Pyrophosphatase
    M. Arif
    G. Shabir
    S. A. Ejaz
    A. Saeed
    S. U. Khan
    J. Lecka
    J. Sévigny
    J. Iqbal
    Russian Journal of Bioorganic Chemistry, 2022, 48 : 990 - 1001
  • [22] Crystal structure of 2-(5-(pyridin-3-yl)-4-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)pyridine, C17H12N6
    Sun, Hongtao
    Wu, Hao
    Zhang, Lili
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2020, 235 (05): : 1161 - 1162
  • [23] Discovery of 4-chloro-3-(5-(pyridin-3-yl)-1,2,4-oxadiazole-3-yl) benzamides as novel RET kinase inhibitors
    Han, Mei
    Li, Shan
    Ai, Jing
    Sheng, Rong
    Hu, Yongzhou
    Hu, Youhong
    Geng, Meiyu
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2016, 26 (23) : 5679 - 5684
  • [24] 6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl] pyridin-3-amine monohydrate
    Broichhagen, Johannes
    Klingl, Yvonne E.
    Trauner, Dirk
    Mayer, Peter
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2016, 72 : 238 - +
  • [25] Synthesis and Crystal Structure Characterization of (E)-Methyl 2-(Methoxyimino)-2-(2-((3-(6-(Trifluoromethyl) Pyridin-3-yl) Phenoxy) Methyl) Phenyl) Acetate
    Mao, Dajie
    Hu, Chongbo
    Wang, Weiwei
    Du, Xiaohua
    Xu, Zhenyuan
    MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2015, 607 (01) : 264 - 271
  • [26] Tetraaquabis[5-(pyridin-3-yl)tetrazolido-kappa N-5] manganese(II) tetrahydrate
    Qi, Chen
    He, Xiang
    Shao, Min
    Li, Ming-Xing
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : M890 - +
  • [27] Synthesis and characterization of antibacterial 2-(pyridin-3-yl)-1H-benzo[d]imidazoles and 2-(pyridin-3-yl)-3H-imidazo[4,5-b]pyridine derivatives
    Venkata Ramakrishna Mallemula
    Niraj Nemichand Sanghai
    V. Himabindu
    Akula Kalyan Chakravarthy
    Research on Chemical Intermediates, 2015, 41 : 2125 - 2138
  • [28] Synthesis and characterization of antibacterial 2-(pyridin-3-yl)-1H-benzo[d]imidazoles and 2-(pyridin-3-yl)-3H-imidazo[4,5-b]pyridine derivatives
    Mallemula, Venkata Ramakrishna
    Sanghai, Niraj Nemichand
    Himabindu, V.
    Chakravarthy, Akula Kalyan
    RESEARCH ON CHEMICAL INTERMEDIATES, 2015, 41 (04) : 2125 - 2138
  • [29] In Vitro Antitumor Mechanism of (E)-N-(2-methoxy-5-(((2,4,6-trimethoxystyryl)sulfonyl)methyl)pyridin-3-yl)methanesulfonamide
    Lu, Tiangong
    Laughton, Charles A.
    Wang, Shudong
    Bradshaw, Tracey D.
    MOLECULAR PHARMACOLOGY, 2015, 87 (01) : 18 - 30
  • [30] N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide
    Korlyukov, Alexander A.
    Dorovatovskii, Pavel V.
    Vologzhanina, Anna V.
    MOLBANK, 2022, 2022 (04)
12345