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TIC10 isomer

CAS No.:
41276-02-2
Catalog Number:
AG00C6I0
Molecular Formula:
C24H26N4O
Molecular Weight:
386.4894
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$176
- +
10mg
99%
1 week
United States
$240
- +
50mg
99%
1 week
United States
$640
- +
100mg
99%
1 week
United States
$973
- +
Product Description
Catalog Number:
AG00C6I0
Chemical Name:
TIC10 isomer
CAS Number:
41276-02-2
Molecular Formula:
C24H26N4O
Molecular Weight:
386.4894
MDL Number:
MFCD25976764
IUPAC Name:
11-benzyl-2-[(2-methylphenyl)methyl]-2,4,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3-dien-8-one
InChI:
InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-22-11-13-26(15-19-8-3-2-4-9-19)17-21(22)23(29)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3
InChI Key:
RSAQARAFWMUYLL-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Cn1c2CCN(Cc2c(=O)n2c1=NCC2)Cc1ccccc1
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
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