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QQN-00358

CAT: 0013-GTR19209539-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209539-01Size:25 mg
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Description
QQN-00358 is a novel, potent, and selective small molecule inhibitor of tankyrase (TNKS) . It is a valuable research tool for studying the Wnt/β-catenin signaling pathway in both cellular and animal models of cancer and fibrosis.
CAS Number
1498300-35-8
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
C (N1C=2C (C (=O) N (C[C@@H]3CC[C@@H] (C (O) =O) CC3) C1=O) =C (C) C=CC2) C4=C (C#N) C (C (F) (F) F) =CC=C4
Molecular Formula
C26H24F3N3O4
Molecular Weight
499.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclohexanecarboxylic acid, 4-[[1-[[2-cyano-3-(trifluoromethyl)phenyl]methyl]-1,4-dihydro-5-methyl-2,4-dioxo-3(2H)-quinazolinyl]methyl]-, trans-
CAS Number1498300-35-8
PubChem CID72549782
IUPAC Name4-[[1-[[2-cyano-3-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxylic acid
Molecular FormulaC26H24F3N3O4
Molecular Weight499.5
XLogP4.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity908
SMILES
CC1=C2C(=CC=C1)N(C(=O)N(C2=O)CC3CCC(CC3)C(=O)O)CC4=C(C(=CC=C4)C(F)(F)F)C#N
InChI
InChI=1S/C26H24F3N3O4/c1-15-4-2-7-21-22(15)23(33)32(13-16-8-10-17(11-9-16)24(34)35)25(36)31(21)14-18-5-3-6-20(19(18)12-30)26(27,28)29/h2-7,16-17H,8-11,13-14H2,1H3,(H,34,35)
InChIKey
QDVBJHFEZRTDHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexanecarboxylic acid, 4-[[1-[[2-cyano-3-(trifluoromethyl)phenyl]methyl]-1,4-dihydro-5-methyl-2,4-dioxo-3(2H)-quinazolinyl]methyl]-, trans-
CAS: 1498300-35-8
CID: 72549782
Formula: C26H24F3N3O4
MW: 499.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass499.17189074
Monoisotopic Mass499.17189074
Topological Polar Surface Area102 Ų
Heavy Atom Count36
Formal Charge0
Complexity908
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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