| Chemical Properties | Back Directory | [Boiling point ]
443.0±45.0 °C(Predicted) | [density ]
1.398±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: 20.83 mg/mL (79.17 mM) | [form ]
Solid | [pka]
15.79±0.50(Predicted) | [color ]
Light yellow to yellow | [InChI]
1S/C13H8Cl2N2/c14-12-4-3-9(7-13(12)15)10(8-16)6-11-2-1-5-17-11/h1-7,17H/b10-6+ | [InChIKey]
IJJHHDLGGYDXGD-UXBLZVDNSA-N | [SMILES]
ClC1=CC(/C(C#N)=C/C2=CC=CN2)=CC=C1Cl |
| Hazard Information | Back Directory | [Uses]
ANI-7 is an activator of aryl hydrocarbon receptor (AhR) pathway. ANI-7 inhibits the growth of multiple cancer cells, and potently and selectively inhibits the growth of MCF-7 breast cancer cells with a GI50 of 0.56 μM. ANI-7 induces CYP1-metabolizing mono-oxygenases by activating AhR pathway, and also induces DNA damage, checkpoint Kinase 2 (Chk2) activation, S-phase cell cycle arrest, and cell death in sensitive breast cancer cell lines[1][2][3]. | [Biological Activity]
ANI-7 is a potent and selective activator of the aryl hydrocarbon receptor (AHR) pathway th at exhibit potent cytotoxic activity against multiple cancer cell lines while spearing normal breast cells (MCF-10A). Apparently activation of AHR by ANI-7 leads to induction of CYP1 metabolising monooxygenases. ANI-7 metabolites induce DNA damagecheckpoint activationS-phase cell cycle arrest and cell death in sensitive breast cancer cell lines. | [IC 50]
Aryl Hydrocarbon Receptor; Chk2 | [References]
[1] ilbert J, et al. (Z)-2-(3,4-Dichlorophenyl)-3-(1H-Pyrrol-2-yl)Acrylonitrile Exhibits Selective Antitumor Activity in Breast Cancer Cell Lines via the Aryl Hydrocarbon Receptor Pathway. Mol Pharmacol. 2018 Feb;93(2):168-177. DOI:10.1124/mol.117.109827
[2] Baker JR, et al. Dichlorophenylacrylonitriles as AhR Ligands That Display Selective Breast Cancer Cytotoxicity in vitro. ChemMedChem. 2018 Jul 18;13(14):1447-1458. DOI:10.1002/cmdc.201800256
[3] Mark Tarleton, et al. Library synthesis and cytotoxicity of a family of 2-phenylacrylonitriles and discovery of an estrogen dependent breast cancer lead compound. ?Medicinal Chemistry Communication. January 20112. (1):31-37. |
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