Sonidegib D4

Product Name Sonidegib D4
CAT No. CS-O-32595
CAS No. 956697-53-3 (Unlabeled)
Category Stable Isotopes
Stock IN-Stock
Mol. Wt. 489.52 g/mol
Mol. For. C26H22D4F3N3O3
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Purity 95%
Therapeutic Anti-Cancer / Oncology
Smileys CC1=C(C2=C([2H])C([2H])=C(OC(F)(F)F)C([2H])=C2[2H])C=CC=C1C(NC3=CN=C(N(C[C@H](C)O4)C[C@H]4C)C=C3)=O
Canonical Smiles CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F
InchIKey VZZJRYRQSPEMTK-CALCHBBNSA-N
Inchl InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+
IUPAC N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
Controlled No
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Sonidegib D4 is a chemical compound that belongs to the class of Hedgehog pathway inhibitors. It is a deuterated form of Sonidegib, which is an FDA-approved drug used for the treatment of basal cell carcinoma. The incorporation of deuterium in Sonidegib D4 makes it a more stable compound with improved pharmacokinetic properties. Sonidegib D4 is primarily used in preclinical research as a reference standard and internal standard for the quantification of Sonidegib in biological samples. It is also used in pharmacokinetic studies to determine the metabolic fate of Sonidegib and its deuterated analogs in vivo. The chemical formula of Sonidegib D4 is C26H14D4F3N3O3, and its molecular weight is 456.46 g/mol. It is a white to off-white powder that is sparingly soluble in water and soluble in organic solvents like methanol, ethanol, and dimethyl sulfoxide. The mechanism of action of Sonidegib D4 involves the inhibition of the Hedgehog signaling pathway, which plays a critical role in the development and progression of basal cell carcinoma. By inhibiting this pathway, Sonidegib D4 can prevent the growth and proliferation of cancer cells. In conclusion, Sonidegib D4 is an important tool for preclinical research and pharmacokinetic studies of Sonidegib. Its stable and improved pharmacokinetic properties make it a useful reference standard for the quantification of Sonidegib in biological samples.

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