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AZ6102

CAT: 0013-GTR19160463-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160463-02Size:500 mg
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Description
AZ6102 is a potent TNKS1/2 inhibitor that has 100-fold selectivity against other PARP family enzymes and shows 5 nM Wnt pathway inhibition in DLD-1 cells. AZ6102 can be formulated well in a clinically relevant intravenous solution at 20 mg/mL, has demonstrated good pharmacokinetics in preclinical species, and shows low Caco2 efflux to avoid possible tumor resistance mechanisms. The canonical Wnt pathway plays an important role in embryonic development, adult tissue homeostasis, and cancer. Germline mutations of several Wnt pathway components, such as Axin, APC, and -catenin, can lead to oncogenesis. Inhibition of the poly (ADP-ribose) polymerase (PARP) catalytic domain of the tankyrases (TNKS1 and TNKS2) is known to inhibit the Wnt pathway via increased stabilization of Axin.
CAS Number
1645286-75-4
Product Name Alternative
AZ6102 | AZ-6102 | AZ 6102
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 29 mg/mL; 67.67 mM
Smiles
C[C@@H]1CN (c2ncc (c3ccc (c4nc (=O) c5ccn (C) c5[nH]4) cc3) c (C) c2) C[C@H] (C) N1
Molecular Formula
C25H28N6O
Molecular Weight
428.53
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
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

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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