X射线衍射分析技术在药物研究中的应用

http:PP­(100050)X.,.X,,,,TheapplicationofX2raydiffractionanalysisinpharmaceuticalresearchCHANGYingZHENGQi2TaiLUYang­(InstituteofMateriaMedica,ChineseAcademyofMedicalSciences,andPekingUnionMedicalCollege,Beijing100050,China)AbstractX2raydiffractionanalysishasbecomeawidelyacceptedphysicalanalysisanddetectiontechnologyinpharmaceuticresearchanddevelopment.Itisnotonlyappliedintheareaofchemicaldrugresearch,butalsoplaysanexclusiveroleinChinesetraditionalmedicineresearchandqualitycontrol.KeywordsX2ray,singlecrystal,polymorphy,chemicaldrug,Chinesetraditionalmedicine3(:29775034)2006-12-30,2007-03-22­.Email:[e-mail]1X.1913,,.X(),.2XX.,,XXX.X(Fourier),X,;,.X,2dhklsin=n,,dhkl(hkl),,,,X,n.3XX,,254X36(2007)6http:PP()[1](),,,.X,,()(),.,,X(,),,,,,[2].3.1.,X(1mg),.,.102Deacetyl272epitaxol,C13,.,,X(1),.3.2,.X,.,,:1102Deacetyl272epitaxol(a)(b)(1);(2)X.,X.:,5/7/66/8/6.TaxachitrieneB,,.X,,C32C8,6/12,2.:3,X,8.3.3LangduinC.,345.4,20,.X354Xhttp:PP(a)(b)3(a)(b)(4),.3.4,,,4LangduinC(a)(b).:X.,X,X.:()X().()(),().,,|Fo(H)||Fo(-H)|,Fo(+-),Fo,.Flack:shelxs97,Flackxu.u0.3,,;u(u0.1),Flackx0,,x1[3].454X36(2007)6http:PP(a)(b),.5.:(DL),,.:L,,6.6L(a)(b)3.5,.,.X,.(C18H20O8NaP)4(H2O)6,46.4,.4A/B:55.258.350.048.8.7(a),(b),(c)4.7(a);4(b);(c),P3.6,X.,,,.:hydroquinone,19,.3,554Xhttp:PP(a)a(b):91,2,4-.A()B()2CD.Cl1N4:3.044!..9(a);(b),Cl:CalciumGlycine,Ca2Cl44O,.10Ca.3.71/3.(2005)10CalciumGlycine(a)(b)Ca(c)[4],,80%..:.,.,.:.,,,.2.X:(11).3.8X,.,,.(),.,,.6!,22;2.5!,50%;654X36(2007)6http:PP(a);(b);(c)1.5!,;1.2!,.4X2070,X.,.4.1:(X)(X).X,,X.12X12X.:X2X,[(2d),:(I/I0),:()],2.13X:.,,X.13754Xhttp:PP(a);(b)156X162XX.13.:X.X,.142X.,,.:854X36(2007)6http:PP(),..,.,.,:..,.,,.X,.X:(1),.(2),100200.(3),.,.(4)(,),,.,,[5,6].:156X.:162X.5,X,.,X,,,X,.[1]InstituteofMateriaMedicaChineseAcademyofMedicalScience.ChineseTraditionalMedicinemodernresearch(theeditionofin2strumentanalysis).Beijing:PekingUniversityHealthScienceCenter/PekingUnionMedicalCollegeunionPress,1999.366-486(inChinese)[2]FangQCh.NaturalMedicinalChemistryResearch.Beijing:Pe2kingUnionMedicalCollegePress,2006.87-143(inChinese)[3]ChenXM,CaiJW.PrincipleandPracticeofSingle-crystalStructureAnalysis.Beijing:SciencePress,2003(inChinese)[4]PharmacopoeiaCommissionoftheMinistryofPublicHealth.Phar2macopoeiaofPeople’sRepublicofChina.Beijing:ChemicalIn2dustryPress,2005(inChinese)[5]ZhangL,WangShCh,WuYShetal.ChineseTraditionalPatentMedicine,2005,27(5):577(inChinese)[6]ChenHM,WuYSh,ZhangQTetal.JournalofChinaPharma2ceuticalUniversity,2004,35(2):138(inChinese),.,10,,.,,.,.CeO2(111)0.1MLAu(STM).()954X