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Chemical structure of NTP42

GC38827

NTP42

Also known as 1-tert-butyl-3-[5-cyano-2-[3-[4-(difluoromethoxy)phenyl]phenoxy]phenyl]sulfonylurea

NTP42 is a thromboxane A2 (TXA2) receptor antagonist with an IC50 of 3·278 nM for antagonizing T prostanoid receptor (TP)- mediated [Ca2+] mobilization following stimulation of cells with the alternative TP agonist U46609

ChemicalCAS2055599-51-2MW515.53FormulaC25H23F2N3O5S
CAS number
2055599-51-2
Molecular weight
515.53
Formula
C25H23F2N3O5S
Solubility
DMSO： 31·25 mg/mL (60·62 mM)
InChIKey
RIIKDGPBTPECSW-UHFFFAOYSA-N
Catalogue number
GC38827
Brand
GLPBIO
Computed properties PubChem CID 124147085 · XLogP 5.3 · TPSA 126 Ų · H-bond donors 2
XLogP
5.3
TPSA
126 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36

SMILES CC(C)(C)NC(=O)NS(=O)(=O)C1=C(C=CC(=C1)C#N)OC2=CC=CC(=C2)C3=CC=C(C=C3)OC(F)F

Computed descriptors from PubChem (CID 124147085), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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