X-ray powder diffraction data for 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester, C27H28N4O5

被引：1
|
作者：
Wang, Qing [1 ]
Suo, Zi Li [1 ]
Zhang, Yong Kui [1 ]
Hou, Quan [1 ]
Li, Hui [1 ]
机构：
[1] Sichuan Univ, Coll Chem Engn, Chengdu 610065, Sichuan, Peoples R China
来源：
POWDER DIFFRACTION | 2017年 / 32卷 / 03期
关键词：
pharmaceutical intermediate; anticoagulant; apixaban; APIXABAN;
D O I：
10.1017/S0885715617000574
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7- tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester is an important intermediate in the synthesis of the anticoagulant, apixaban. X-ray powder diffraction data for this compound are reported [a = 14.101(4) angstrom, b = 10.105(6) angstrom, c = 9.532(7) angstrom, alpha = 72.774(1)degrees, beta = 97.356(3)degrees, gamma = 108.237(3)degrees, unit-cell volume V = 1231.45 angstrom(3), Z = 2, and space group P-1]. No detectable impurities were observed. (C) 2017 International Centre for Diffraction Data.
引用
收藏
页码：206 / 209
页数：4
相关论文
共 50 条
  • [1] Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa
    Pinto, Donald J. P.
    Orwat, Michael J.
    Koch, Stephanie
    Rossi, Karen A.
    Alexander, Richard S.
    Smallwood, Angela
    Wong, Pancras C.
    Rendina, Alan R.
    Luettgen, Joseph M.
    Knabb, Robert M.
    He, Kan
    Xin, Baomin
    Wexler, Ruth R.
    Lam, Patrick Y. S.
    JOURNAL OF MEDICINAL CHEMISTRY, 2007, 50 (22) : 5339 - 5356
  • [2] 4-(4-Fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
    Wang, J
    Zhu, SL
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2006, 62 : O47 - O48
  • [3] N-[4-(4-chlorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
    Zhang, Xiao-Jing
    Zhang, Jun-Yong
    Tu, Shu-Jiang
    Jia, Run-Hong
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2006, 62 : O2306 - O2307
  • [4] 4-(4-bromophenyl)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile ethanol solvate
    Fan, Xue-Sen
    Li, Xiao-Yan
    Wang, Xia
    Li, Dong-Fang
    Zhang, Xin-Ying
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O1925 - U3779
  • [5] 7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridines as novel inhibitors of human eosinophil phosphodiesterase
    Duplantier, AJ
    Andresen, CJ
    Cheng, JB
    Cohan, VL
    Decker, C
    DiCapua, FM
    Kraus, KG
    Johnson, KL
    Turner, CR
    Umland, JP
    Watson, JW
    Wester, RT
    Williams, AS
    Williams, JA
    JOURNAL OF MEDICINAL CHEMISTRY, 1998, 41 (13) : 2268 - 2277
  • [6] 6,7-dihydro-4-(4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
    Zhang, Xin-Ying
    Li, Xiao-Yan
    Wang, Xia
    Li, Dong-Fang
    Fan, Xue-Sen
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O1888 - U3435
  • [7] X-ray powder diffraction data for 5, 6-dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-1-piperidinyl) phenyl]-2(1H)-pyridinone, C20H25N3O3
    Wang, Qing
    Zeng, Xia
    Li, Shan Shan
    Ma, Xiao Li
    Li, Hui
    POWDER DIFFRACTION, 2016, 31 (04) : 288 - 291
  • [8] Hydrogen-bonded chains of ring in 3-tert-butyl-1-phenyl-7-(-4-trifluoro-methylbenzyl)-4,5,6,7-tetrahydro-1H-Pyrazolo[3,4-b]pyridine-5-spiro-1′-cyclohexane-2′,6′-dione and 3-tert-butyl-7-(4-methoxybenzyl)-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]-pyridine-5-spiro-1′-cyclohexane-2′,6′-dione
    Trilleras, Jorge
    Cruz, Silvia
    Cobo, Justo
    Low, John N.
    Glidewell, Christopher
    ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2008, 64 : O671 - O674
  • [9] A theoretical study of the structure of 6, 6-dimethyl-7-nitroso-4, 5, 6, 7-tetrahydro-1H-pyrazolo[3, 4-b]pyridine
    Echevarria, A.
    Alkorta, I.
    Elguero, J.
    AFINIDAD, 2016, 73 (575) : 182 - 185
  • [10] Crystal structure analysis of ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1H- pyrazolo[3,4-b]pyridine-5-carboxylate
    Rao, H. Surya Prakash
    Gunasundari, Ramalingam
    Muthukumaran, Jayaraman
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2020, 76 : 1209 - +
12345