CWP232228 - ≥98% , CAS No.1144044-02-9

CAS: 1144044-02-9 Cat. No.: C648740 분자식: C₃₃H₃₄N₇Na₂O₇P 분자량: 717.62 PubChem CID: 71509158

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

개요

CWP232228, a highly potent selective Wnt/β-catenin signaling inhibitor, antagonizes binding of β-catenin to T-cell factor (TCF) in the nucleus. CWP232228 suppresses tumor formation and metastasis without toxicity through the inhibition of the growth of breast and liver cancer stem cells (CSCs)

In Vitro

CWP232228 (0.01-100 μM; 48 hours) inhibits cell proliferation with IC 50 values are 2 and 0.8 μM in mouse (4T1) and human (MDA-MB-435) breast cancer cell lines, respectively. CWP232228 (0.01-10 μM; 48 hours) inhibits cell proliferation with IC 50 s of 2.566, 2.630, and 2.596 μM in Hep3B, Huh7 and HepG2 cells, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: Mouse (4T1) and human (MDA-MB-435) breast cancer cell lines Concentration: 0.01, 0.1, 1, 10, 100 μM Incubation Time: 48 hours Result: IC 50 s were 2 and 0.8 μM for 4T1 and MDA-MB-435 cell lines, respectively. Cell Proliferation AssayCell Line: Hepatocellular carcinoma cell lines HepG2, Huh7, and Hep3B Concentration: 0.01, 0.1, 0.5, 1, 5, 10 μM Incubation Time: 48 hours Result: IC 50 s were 2.566, 2.630, and 2.596 μM for Hep3B, Huh7 and HepG2 cells, respectively.

In Vivo

CWP232228 (100 mg/kg, administered i.p.; daily; 21days for mice bearing 4T1 cell tumors; 60 days for mice bearing MDA-MB-435 cell tumors) results in a significant reduction in tumor volume . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: 7-week-old female Balb/c and NOD/SCID mice bearing 4T1 or MDA-MB-435 cell tumors Dosage: 100 mg/kg Administration: Administered i.p.; daily; 21days for mice bearing 4T1 cell tumors, 60 days for mice bearing MDA-MB-435 cell tumors Result: Treatment resulted in a significant reduction in tumor volume.

Form:Solid

IC50& Target:Wnt/β-catenin

Specifications

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

CWP232228, a highly potent selective Wnt/β-catenin signaling inhibitor, antagonizes binding of β-catenin to T-cell factor (TCF) in the nucleus. CWP232228 suppresses tumor formation and metastasis without toxicity through the inhibition of the growth of br

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: CN1C=C2C=CC=C(C2=N1)CN3CC4N(C(C3=O)CC5=CC=C(C=C5)OP(=O)([O-])[O-])C(=O)CN(N4C(=O)NCC6=CC=CC=C6)CC=C.[Na+].[Na+]
• IUPAC Name: disodium;[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
• InChIKey: KKMKZLQVDAGSOA-GDUXWEAWSA-L
• 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
• 이성체 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+]
• PubChem CID: 71509158
• MeSH 용어: CWP232228
• 분자량: 717.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphomonoesters
            • Level7 Phenyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates - Aryl phosphomonoesters
• Direct Parent: Phenyl phosphates
• Alternative Parents: Alpha amino acids and derivatives Indazoles Phenoxy compounds N-alkylpiperazines 1,2,4-triazinanes 1,2,4-triazines Tertiary carboxylic acid amides Semicarbazides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl phosphate - Alpha-amino acid or derivatives - Benzopyrazole - Indazole - Phenoxy compound - N-alkylpiperazine - 1,2,4-triazinane - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Triazinane - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Azole - Pyrazole - Semicarbazide - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic alkali metal salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic salt - Organic sodium salt - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: H2O : 62.5 mg/mL (87.09 mM; Need ultrasonic)