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1616632-77-9 | Imidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one, 2,4,6,7,8,9-hexahydro-4-[(2-methylphenyl)methyl]-7-(phenylmethyl)-
CAS No: 1616632-77-9 Catalog No: AG001VSE MDL No:MFCD28118993
Product Description
Catalog Number:
AG001VSE
Chemical Name:
Imidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one, 2,4,6,7,8,9-hexahydro-4-[(2-methylphenyl)methyl]-7-(phenylmethyl)-
CAS Number:
1616632-77-9
Molecular Formula:
C24H26N4O
Molecular Weight:
386.4894
MDL Number:
MFCD28118993
IUPAC Name:
11-benzyl-7-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
InChI:
InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3
InChI Key:
VLULRUCCHYVXOH-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Cn1c(=O)c2CN(CCc2n2c1=NCC2)Cc1ccccc1
UNII:
9U35A31JAI
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.211g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.499g/mol
Monoisotopic Mass:
386.211g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Dose intensification of TRAIL-inducing ONC201 inhibits metastasis and promotes intratumoral NK cell recruitment. | The Journal of clinical investigation 20180601 |
| Discovery and clinical introduction of first-in-class imipridone ONC201. | Oncotarget 20161108 |
| Dual inactivation of Akt and ERK by TIC10 signals Foxo3a nuclear translocation, TRAIL gene induction, and potent antitumor effects. | Science translational medicine 20130206 |
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