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Chemical structure of Bezafibrate-d6

GC68756

Bezafibrate-d6

Also known as 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid

Bezafibrate-d6 is the deuterated form of Bezafibrate· Bezafibrate is a PPAR agonist with EC50 values of 50 μM, 60 μM, 20 μM and 90 μM for human and mouse PPARα, PPARγ and PPARδ respectively; it is also a lipid-lowering agent

ChemicalCAS1219802-74-0MW367.86FormulaC19H14D6ClNO4
CAS number
1219802-74-0
Molecular weight
367.86
Formula
C19H14D6ClNO4
Solubility
DMSO ： ≥ 30 mg/mL (81·55 mM); DMF ： ≥ 30 mg/mL (81·55 mM); Ethanol ： ≥ 3 mg/mL (8·16 mM); DMSO：PBS (pH7·2)(1：1) ： ≥ 0·5 mg/mL (1·36 mM)
InChIKey
IIBYAHWJQTYFKB-WFGJKAKNSA-N
Catalogue number
GC68756
Brand
GLPBIO
Computed properties PubChem CID 76973645 · XLogP 3.8 · TPSA 75.6 Ų · H-bond donors 2
XLogP
3.8
TPSA
75.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
25

SMILES [2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl

Computed descriptors from PubChem (CID 76973645), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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