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Chemical structure of HC-030031

GC15947

HC-030031

Also known as 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide

HC-030031 is a selective inhibitor of transient receptor potential ankyrin subfamily member 1 (TRPA1)· HC-030031 blocks calcium influx in cells, with IC50 values of 4·9±0·1 and 7·5±0·2μM for calcium influx induced by cinnamaldehyde and allyl isothiocyanate (AITC), respectively

ChemicalCAS349085-38-7MW355.39FormulaC18H21N5O3
CAS number
349085-38-7
Molecular weight
355.39
Formula
C18H21N5O3
Solubility
≥ 16·4mg/mL in DMSO
InChIKey
HEQDZPHDVAOBLN-UHFFFAOYSA-N
Catalogue number
GC15947
Brand
GLPBIO
Computed properties PubChem CID 1150897 · XLogP 1.7 · TPSA 87.5 Ų · H-bond donors 1
XLogP
1.7
TPSA
87.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26

SMILES CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Computed descriptors from PubChem (CID 1150897), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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