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Chemical structure of DPTIP (hydrochloride)

GC92004

DPTIP (hydrochloride)

Also known as 2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol;hydrochloride

DPTIP is an inhibitor of neutral sphingomyelinase 2 (nSMase2; IC50 = 30 nM)

ChemicalCAS2361799-64-4MW414.9FormulaC21H18N2O3S ? HCl
CAS number
2361799-64-4
Molecular weight
414.9
Formula
C21H18N2O3S ? HCl
Solubility
Acetonitrile： Slightly Soluble： 0·1–1 mg/ml,DMSO： Sparingly Soluble： 1–10 mg/mL
InChIKey
JXCSNAONSJHTTR-UHFFFAOYSA-N
Catalogue number
GC92004
Brand
GLPBIO
Computed properties PubChem CID 145887598 · TPSA 95.6 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
95.6 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28

SMILES COC1=CC(=CC(=C1O)OC)C2=NC(=C(N2)C3=CC=CS3)C4=CC=CC=C4.Cl

Computed descriptors from PubChem (CID 145887598), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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