F6O

N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine


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Chemical Component Summary

NameN4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Identifiers~{N}4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
FormulaC29 H40 N8 O3 S
Molecular Weight580.745
TypeNON-POLYMER
Isomeric SMILESCC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C
InChIInChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)
InChIKeyMGGBYMDAPCCKCT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count81
Chiral Atom Count0
Bond Count85
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB12729 
NameASP-3026
Groups investigational
DescriptionASP3026 has been used in trials studying the treatment of Solid Tumor, B-Cell Lymphoma, Advanced Malignancies, Positive for Anaplastic Lymphoma Kinase, and Positive for Proto-Oncogene Tyrosine-Protein Kinase ROS.
SynonymsASP-3026
CategoriesSulfur Compounds
CAS number1097917-15-1

Related Resource References

Resource NameReference
Pharos CHEMBL3545360
PubChem 25134326
ChEMBL CHEMBL3545360