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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.

Siponimod-[d11]

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General Information
Catalog: BLP-004242
Molecular Formula: C29H24D11F3N2O3
Molecular Weight: 527.67
Chemical Structure
Siponimod-[d11]
Description Labelled Siponimod. Siponimod is a selective S1P1 and S1P5 agonist with EC50 of 0.39 nM and 0.98 nM, respectively. It has been approved by US FDA for the treatment of patients with active secondary progressive multiple sclerosis (SPMS).
Synonyms BAF312-D11; 1-({4-[(1E)-1-[({4-[(1,2,2,3,3,4,4,5,5,6,6-D11)cyclohexyl]-3-(trifluoromethyl)phenyl}methoxy)imino]ethyl]-2-ethylphenyl}methyl)azetidine-3-carboxylic acid; (E)-1-(4-(1-(((4-(cyclohexyl-d11)-3-(trifluoromethyl)benzyl)oxy)imino)ethyl)-2-ethylbenzyl)azetidine-3-carboxylic acid
IUPAC Name 1-[[2-ethyl-4-[(Z)-C-methyl-N-[[3-(trifluoromethyl)-4-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)phenyl]methoxy]carbonimidoyl]phenyl]methyl]azetidine-3-carboxylic acid
Related CAS 1230487-00-9 (unlabelled)
Canonical SMILES CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O
InChI InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19-/i4D2,5D2,6D2,7D2,8D2,22D
InChI Key KIHYPELVXPAIDH-NEBXIGIDSA-N
Purity >98%
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