依鲁替尼代谢物(1654820-87-7)名称与标识符
名称
中文别名：
依鲁替尼代谢物;二氢二醇依鲁替尼;依鲁替尼代谢物PCI-45227;
英文别名：
PCI-45227;Dihydrodiol Ibrutinib;1-{(3R)-3-[4-Amino-3-(4-phénoxyphényl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-pipéridinyl}-2,3-dihydroxy-1-propanone;Dihydrodiol-Ibrutinib;Dihydrodiol Ibrutinib, PCI-45227;MS-28802;1-((3R)-3-(4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)-1-PIPERIDINYL)-2,3-DIHYDROXY-1-PROPANONE;F82100;1ST162972;SCHEMBL17457268;1-[3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one; 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2,3-dihydroxy-1-propanone; PCI 45227;UNII-29446230GA;1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one;1-Propanone, 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-piperidinyl)-2,3-dihydroxy-;Q27254382;JNJ-54243761;CS-0019899;PCI 45227;Ibrutinib metabolite M37;1-((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one;29446230GA;AKOS040755252;Dihydrodiolibrutinib (PCI-45227, M37);1654820-87-7;HY-100659;
标识符
InChIKey：
NWKPMPRXJGMTKQ-DIAVIDTQSA-N
Inchi：
InChI=1S/C25H26N6O4/c26-23-21-22(16-8-10-19(11-9-16)35-18-6-2-1-3-7-18)29-31(24(21)28-15-27-23)17-5-4-12-30(13-17)25(34)20(33)14-32/h1-3,6-11,15,17,20,32-33H,4-5,12-14H2,(H2,26,27,28)/t17-,20?/m1/s1
SMILES：
c1ccc(cc1)Oc2ccc(cc2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C(CO)O)N
3003473323 
![N-[1-[5-O-[二(4-甲氧基苯基)苯基甲基]-2-脱氧-BETA-D-赤式-呋喃戊糖基]-1H-吡唑并[3,4-D]嘧啶-4-基]苯甲酰胺](http://hg.y866.cn/compound/lib/scimg/cas/150/119803-27-9.png "N-[1-[5-O-[二(4-甲氧基苯基)苯基甲基]-2-脱氧-BETA-D-赤式-呋喃戊糖基]-1H-吡唑并[3,4-D]嘧啶-4-基]苯甲酰胺")
![4-氨基1-叔丁基-3-(1'-萘甲基)吡唑并[3,4-D]嘧啶](http://hg.y866.cn/compound/lib/scimg/cas/150/221244-14-0.png "4-氨基1-叔丁基-3-(1'-萘甲基)吡唑并[3,4-D]嘧啶")
