SML2499
TY-52156
≥98% (HPLC)
Synonym(s):
1-(4-Chlorophenylamino)-1-(4-chlorophenylhydrazono)-3,3-dimethyl-2-butanone, 1-(4-Chlorophenylhydrazono)-1-(4-chlorophenylamino)-3,3-dimethyl-2-butanone, N-(4-Chloroanilino)-N′-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide, TY 52156, TY52156
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About This Item
Empirical Formula (Hill Notation):
C18H19Cl2N3O
CAS Number:
Molecular Weight:
364.27
NACRES:
NA.77
UNSPSC Code:
12352200
Assay:
≥98% (HPLC)
Form:
powder
assay
≥98% (HPLC)
form
powder
color
white to very dark brown
solubility
DMSO: 2 mg/mL, clear
storage temp.
2-8°C
SMILES string
CC(C)(C(/C(NC1=CC=C(C=C1)Cl)=N/NC2=CC=C(C=C2)Cl)=O)C
InChI
1S/C18H19Cl2N3O/c1-18(2,3)16(24)17(21-14-8-4-12(19)5-9-14)23-22-15-10-6-13(20)7-11-15/h4-11,22H,1-3H3,(H,21,23)
InChI key
XONRRGIRSGNWFP-UHFFFAOYSA-N
Biochem/physiol Actions
Orally active, potent and selective sphingosine 1-phosphate (S1P) receptor 3 (S1P3; S1PR3) antagonist with in vitro and in vivo efficacy.
TY-52156 is a potent sphingosine 1-phosphate (S1P) receptor 3 (S1P3; S1PR3) antagonist that selectively inhibits S1P-stimulated Ca2+ response in human S1P3-expressing cells (Ki = 110 nM) and Eu-GTP binding to S1P3-containing membranes over those of S1P1/2/4/5. TY-52156 inhibits S1P3-dependent signaling events in human coronary artery smooth muscle cells (1 μM), S1P3-dependent coronary flow decrease in perfused rat hearts, as well as S1P3-mediated acute mechanical pain in mice (10 nmol/20 μL/paw id.) and bradycardia in anesthetized rats (30 mg/kg TY-52156 p.o.) in vivo with good oral bioavailability (F = 70.9%; 1 mg/kg p.o. in rats).
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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