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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Bicalutamide-[d4]

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General Information
Catalog: BLP-011812
CAS: 1185035-71-5
Molecular Formula: C18H10D4F4N2O4S
Molecular Weight: 434.41
Chemical Structure
Bicalutamide-[d4]
Description Bicalutamide-[d4] is the labelled analogue of Bicalutamide. Bicalutamide is a non-steroidal androgen receptor (AR) antagonist with IC50 of 0.16 μM. It is commonly used for the treatment of prostate cancer.
Synonyms Bicalutamide D4; N-[4-Cyano-3-trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide-d4; ICI-176334-d4; Casodex-d4
IUPAC Name N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)sulfonylpropanamide
Related CAS 90357-06-5 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1F)[2H])[2H])S(=O)(=O)CC(C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O)[2H]
Canonical SMILES CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/i3D,4D,6D,7D
InChI Key LKJPYSCBVHEWIU-ZDPIWEEJSA-N
Melting Point 190-192°C
Purity ≥97% by HPLC; ≥98% atom D
Solubility Soluble in Chloroform (Slightly, Heated), Methanol (Slightly, Sonicated)
Appearance White to Off-White Solid
Storage Store at -20°C
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