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Home Other Building Blocks 7-Benzyl-4-(2-methylbenzyl)-1,2,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4h)-one

7-Benzyl-4-(2-methylbenzyl)-1,2,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4h)-one

CAS No.:
1616632-77-9
Catalog Number:
AG001VSE
Molecular Formula:
C24H26N4O
Molecular Weight:
386.4894
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$126
- +
10mg
99%
1 week
United States
$154
- +
50mg
99%
1 week
United States
$251
- +
100mg
99%
1 week
United States
$362
- +
200mg
99%
1 week
United States
$543
- +
Product Description
Catalog Number:
AG001VSE
Chemical Name:
7-Benzyl-4-(2-methylbenzyl)-1,2,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4h)-one
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
Properties