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ANI-7

CAT: 1410-M16667-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M16667-04Size:25 mg
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Description
A potent and selective (up to 263-fold) inhibitor of breast cancer cells with GI50 of 0.5 uM (MCF-7), via activation the aryl hydrocarbon receptor (AhR) pathway.
CAS Number
931417-26-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
263.121
Molecular Formula
C13H8Cl2N2
Notes
Research use only, not for human use.
Receptor
AhR

Chemical Information

(alphaZ)-alpha-(3,4-Dichlorophenyl)-1H-pyrrole-2-acrylonitrile
CAS Number931417-26-4
PubChem CID11565176
IUPAC Name(Z)-2-(3,4-dichlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
Molecular FormulaC13H8Cl2N2
Molecular Weight263.12
XLogP3.8
Topological Polar Surface Area39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity345
SMILES
C1=CNC(=C1)/C=C(\C#N)/C2=CC(=C(C=C2)Cl)Cl
InChI
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
Chemical Structure
2D Structure
2D structure of (alphaZ)-alpha-(3,4-Dichlorophenyl)-1H-pyrrole-2-acrylonitrile
CAS: 931417-26-4
CID: 11565176
Formula: C13H8Cl2N2
MW: 263.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.12
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass262.0064537
Monoisotopic Mass262.0064537
Topological Polar Surface Area39.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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