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CWP232228

CAT: 0013-GTR19216949-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216949-08Size:100 mg
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Description
CWP232228, a potent and selective Wnt / β-catenin signaling inhibitor, antagonizes the binding of β-catenin to T-cell factor (TCF) in the nucleus. CWP232228 inhibits the formation and metastasis of tumors by inhibiting the growth of breast cancer and liver cancer stem cells (CSC) without toxicity. (In Vitro) :CWP232228 (0.01-100 μM; 48 hours) inhibited cell proliferation, and IC50 values in mouse (4T1) and human (MDA-MB-435) breast cancer cell lines were 2 and 0.8 μM, respectively. CWP232228 (0.01-10 μM; 48 hours) inhibited cell proliferation in Hep3B, Huh7 and HepG2 cells with IC50 of 2.566, 2.630 and 2.596 μM, respectively. (In Vivo) :CWP232228 (100 mg/kg, administered i.p.; daily; mice with 4T1 cell tumors for 21 days; mice with MDA-MB-435 cell tumors for 60 days) resulted in a significant reduction in tumor volume.
CAS Number
1144044-02-9
Purity
>98% (HPLC)
Solubility
In Vitro: H2O : 62.5 mg/mL (87.09 mM)
Smiles
Cn1cc2cccc (CN3C[C@@H]4N (N (CC=C) CC (=O) N4[C@@H] (Cc4ccc (OP (=O) (O[Na]) O[Na]) cc4) C3=O) C (=O) NCc3ccccc3) c2n1
Molecular Formula
C33H34N7Na2O7P
Molecular Weight
717.63
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

CWP232228 sodium
CAS Number1144044-02-9
PubChem CID71509158
IUPAC Namedisodium;[4-[[(6S,9aS)-1-(benzylcarbamoyl)-8-[(2-methylindazol-7-yl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] phosphate
Molecular FormulaC33H34N7Na2O7P
Molecular Weight717.6
Topological Polar Surface Area166
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count50
Formal Charge0
Complexity1210
SMILES
CN1C=C2C=CC=C(C2=N1)CN3C[C@H]4N([C@H](C3=O)CC5=CC=C(C=C5)OP(=O)([O-])[O-])C(=O)CN(N4C(=O)NCC6=CC=CC=C6)CC=C.[Na+].[Na+]
InChI
InChI=1S/C33H36N7O7P.2Na/c1-3-16-38-22-30(41)39-28(17-23-12-14-27(15-13-23)47-48(44,45)46)32(42)37(20-26-11-7-10-25-19-36(2)35-31(25)26)21-29(39)40(38)33(43)34-18-24-8-5-4-6-9-24;;/h3-15,19,28-29H,1,16-18,20-22H2,2H3,(H,34,43)(H2,44,45,46);;/q;2*+1/p-2/t28-,29-;;/m0../s1
InChIKey
KKMKZLQVDAGSOA-GDUXWEAWSA-L
Chemical Structure
2D Structure
2D structure of CWP232228 sodium
CAS: 1144044-02-9
CID: 71509158
Formula: C33H34N7Na2O7P
MW: 717.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight717.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass717.20527201
Monoisotopic Mass717.20527201
Topological Polar Surface Area166 Ų
Heavy Atom Count50
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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M26132-01CWP232228
A22070-50CWP232228 50mg
A22070-5CWP232228 5mg
A22070-25CWP232228 25mg
A22070-1CWP232228 1mg
A22070-100CWP232228 100mg
A22070-10CWP232228 10mg

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