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Fenhexamid-d10

CAT: 0804-HY-W701943-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W701943-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fenhexamid-d10 is the deuterium labeled Fenhexamid. Fenhexamid, a botryticide, is a sterol biosynthesis inhibitor. Fenhexamid shows fungicide efficient against the plant pathogenic fungus Botryotinia fuckeliana (Botrytis cinerea).
CAS Number
1246815-53-1
UNSPSC
12352005
Target
Estrogen Receptor/ERR; Fungal; Isotope-Labeled Compounds; PI3K
Related Pathways
Anti-infection; Others; PI3K/Akt/mTOR; Vitamin D Related/Nuclear Receptor
Field of Research
Cancer
Smiles
OC1=CC=C(C(Cl)=C1Cl)NC(C2(C([2H])(C([2H])(C([2H])(C([2H])(C2([2H])[2H])[2H])[2H])[2H])[2H])C)=O
Molecular Formula
C14H7D10Cl2NO2
Molecular Weight
312.26
References & Citations
[1]Debieu D, et al. The hydroxyanilide fenhexamid, a new sterol biosynthesis inhibitor fungicide efficient against the plant pathogenic fungus Botryotinia fuckeliana (Botrytis cinerea) . Pest Manag Sci. 2001 Nov;57 (11) :1060-7.|[2]Go RE, et al., Effect of fenhexamid and cyprodinil on the expression of cell cycle- and metastasis-related genes via an estrogen receptor-dependent pathway in cellular and xenografted ovarian cancer models. Toxicol Appl Pharmacol. 2015 Nov 15;289 (1) :48-57.|[3]Medjakovic S, et al., Effect of nonpersistent pesticides on estrogen receptor, androgen receptor, and aryl hydrocarbon receptor. Environ Toxicol. 2014 Oct;29 (10) :1201-16.|[4]Go RE, et al., A fungicide, fenhexamid, is involved in the migration and angiogenesis in breast cancer cells expressing estrogen receptors. Life Sci. 2022 Sep 15;305:120754.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Fenhexamid-d10
CAS Number1246815-53-1
PubChem CID71316720
IUPAC Name2,2,3,3,4,4,5,5,6,6-decadeuterio-N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
Molecular FormulaC14H17Cl2NO2
Molecular Weight312.3
XLogP4.4
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity331
SMILES
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])(C)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl)([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)/i2D2,3D2,4D2,7D2,8D2
InChIKey
VDLGAVXLJYLFDH-CYHVTVHMSA-N
Chemical Structure
2D Structure
2D structure of Fenhexamid-d10
CAS: 1246815-53-1
CID: 71316720
Formula: C14H17Cl2NO2
MW: 312.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.3
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass311.1264016
Monoisotopic Mass311.1264016
Topological Polar Surface Area49.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity331
Isotope Atom Count10
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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sc-495922AFenhexamid-d10
FF23250-01Fenhexamid
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DAG-WZ1052OFenhexamid [OVA]
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