Products for Research Use Only

Vinclozolin M2

CAT: 0013-GTR19232798-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232798-02Size:10 mg
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Description
Vinclozolin M2 is a potent androgen receptor antagonist (IC50= 0.17 nM) and a mineralocorticoid receptor antagonist, formed via metabolic activation of vinclozolin. This research compound is used in mechanistic studies of endocrine disruption, including in vitro receptor assays and in vivo toxicology models like C. elegans.
CAS Number
83792-61-4
Field of Research
Infectious Disease & Virology
Smiles
N (C (C (C=C) (C) O) =O) C1=CC (Cl) =CC (Cl) =C1
Molecular Formula
C11H11Cl2NO2
Molecular Weight
260.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide

M2 is an anilide.

CAS Number83792-61-4
PubChem CID115209
IUPAC NameN-(3,5-dichlorophenyl)-2-hydroxy-2-methylbut-3-enamide
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.11
XLogP2.7
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity275
SMILES
CC(C=C)(C(=O)NC1=CC(=CC(=C1)Cl)Cl)O
InChI
InChI=1S/C11H11Cl2NO2/c1-3-11(2,16)10(15)14-9-5-7(12)4-8(13)6-9/h3-6,16H,1H2,2H3,(H,14,15)
InChIKey
FBYYIBNYONAZCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide
CAS: 83792-61-4
CID: 115209
Formula: C11H11Cl2NO2
MW: 260.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight260.11
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass259.0166840
Monoisotopic Mass259.0166840
Topological Polar Surface Area49.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes