| Catalog Number | ACM1197958125 |
| CAS | 1197958-12-5 |
| IUPAC Name | 5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine |
| Synonyms | AP26113;1197958-12-5;ALK-IN-1;Brigatinib-analog;UNII-3DGD69C6PV;(2-((5-chloro-2-((4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide;3DGD69C6PV;5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine;CHEMBL3397300;1197958-12-5 (analog);2,4-Pyrimidinediamine, 5-chloro-N2-[4-[4-(dimethylamino)-1-piperidinyl]-2-methoxyphenyl]-N4-[2-(dimethylphosphinyl)phenyl]-;5-Chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine;2,4-Pyrimidinediamine, 5-chloro-N2-(4-(4-(dimethylamino)-1-piperidinyl)-2-methoxyphenyl)-N4-(2-(dimethylphosphinyl)phenyl)-;Brigatinib analog;5-Chloro-N2-(4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)-N4-(2-(dimethylphosphoryl)phenyl)pyrimidine-2,4-diamine;5-CHLORO-N2-{4-[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]-2-METHOXYPHENYL}-N4-[2-(DIMETHYLPHOSPHORYL)PHENYL]PYRIMIDINE-2,4-DIAMINE;AP26113-analog;Tube723;compound 11q [PMID: 27144831];Brigatinib(AP26113);C26H34ClN6O2P;GTPL7741;SCHEMBL11916416;DTXSID30725416;EX-A770;AP26113;ALK-IN-1;HMS3652H14;HMS3673I09;BCP06648;2218AH;ABP001163;BDBM50062357;MFCD23704187;NSC776763;NSC800977;s7000;ZINC89630357;AKOS025401944;AKOS032949980;AP 26113-analog, Brigatinib-analog;CCG-264698;CS-1368;NSC-776763;NSC-800977;SB16487;NCGC00351602-02;NCGC00351602-05;NCGC00351602-09;5-Chloro-N2-(4-(4-(dimethylamino)-1-piperidinyl)-2-methoxyphenyl)-N4-(2-(dimethylphosphinyl)phenyl)-2,4-pyrimidinediamine;AC-27470;AS-75104;DA-35325;HY-13464;QC-11659;FT-0696829;SW219566-1;A11948;W-6025;Q4653190;5-chloro-2-N-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-4-N-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine;E5J |
| Molecular Weight | 529.0g/mol |
| Molecular Formula | C26H34ClN6O2P |
| Canonical SMILES | CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC |
| InChI | InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31) |
| InChI Key | OVDSPTSBIQCAIN-UHFFFAOYSA-N |
| Complexity | 733 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 528.2169390g/mol |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 8 |
| Monoisotopic Mass | 528.2169390g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 82.6Ų |
| UNII | 3DGD69C6PV |
| X Log P3 | 4.8 |