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AZ6102

CAT: 0013-GTR19168098-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168098-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZ6102 is a highly selective small molecule inhibitor of TNKS1 and TNKS2, demonstrating potent inhibition of the Wnt signaling pathway with an IC50 of 5 nM in DLD-1 cells. It exhibits >100-fold selectivity over other PARP family members, making it a valuable chemical probe for studying Wnt-driven cancers in both cellular and animal models.
CAS Number
1645286-75-4
Product Name Alternative
Betacatenin, beta-catenin, AZ 6102, AZ6102, AZ-6102, bcatenin, PARP, inhibit, Inhibitor, Wnt/betacatenin, Wnt, Wnt/b-catenin, Wnt/β-catenin, poly ADP ribose polymerase, TNKS1, TNKS2, βcatenin
Field of Research
Epigenetics & Chromatin, Molecular Biology, Signal Transduction, Stem Cell & Developmental Biology
Purity
97.98% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.67 mM) ; DMSO:21.4 mg/mL (49.94 mM)
Smiles
C[C@H]1CN (C[C@@H] (C) N1) c1cc (C) c (cn1) -c1ccc (cc1) -c1nc2n (C) ccc2c (=O) [nH]1
Molecular Formula
C25H28N6O
Molecular Weight
428.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CAS Number1645286-75-4
PubChem CID135905416
IUPAC Name2-[4-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
Molecular FormulaC25H28N6O
Molecular Weight428.5
XLogP3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity709
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4
InChI
InChI=1S/C25H28N6O/c1-15-11-22(31-13-16(2)27-17(3)14-31)26-12-21(15)18-5-7-19(8-6-18)23-28-24-20(25(32)29-23)9-10-30(24)4/h5-12,16-17,27H,13-14H2,1-4H3,(H,28,29,32)/t16-,17+
InChIKey
WCPTUQOMNJBIET-CALCHBBNSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CAS: 1645286-75-4
CID: 135905416
Formula: C25H28N6O
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass428.23245954
Monoisotopic Mass428.23245954
Topological Polar Surface Area74.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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