ChemicalBook CAS DataBase List 132836-42-1

132836-42-1

Name	YS 49
CAS	132836-42-1
Molecular Formula	C20H20BrNO2
MDL Number	MFCD16875442
Molecular Weight	386.282
MOL File	132836-42-1.mol

Chemical Properties

storage temp.	2-8°C
solubility	H2O: >10mg/mL
form	solid
color	White to off-white
Water Solubility	H2O: >10mg/mL
InChI	1S/C20H19NO2.BrH.H2O/c22-19-11-15-8-9-21-18(17(15)12-20(19)23)10-14-6-3-5-13-4-1-2-7-16(13)14;;/h1-7,11-12,18,21-23H,8-10H2;1H;1H2
InChIKey	QHCUNMLYODPTIU-UHFFFAOYSA-N
SMILES	O.Br.Oc1cc2CCNC(Cc3cccc4ccccc34)c2cc1O

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302
Hazard Codes	Xn,N
Risk Statements	22-50 less more
Safety Statements	61 less more
RIDADR	UN 3077 9 / PGIII
WGK Germany	3
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral

Hazard Information

Biological Activity

YS-49 is an activator of PI3K/Akt, a downstream target of RhoA, and reduces RhoA/PTEN activation in 3-methylcholine-treated cells. YS-49 inhibits angiotensin II (Ang II)-stimulated VSMC proliferation by inducing heme oxygenase (HO-1). YS-49 is an isoquinoline compound alkaloid with strong positive inotropic effects due to its ability to activate cardiac β-adrenoceptors.

in vitro

YS-49 (1-100 μM; 18 hours; RAVSMC and RAW 264.7 cells) concentration-dependently inhibits the accumulation of nitrite in both RAVSMC and RAW 264.7 exposed to lipopolysaccharide (LPS) plus INF-γ, with IC ₅₀ values of 22 μM and 30 μM, respectively.
YS-49 (10-100 μM; 18 hours; RAVSMC and RAW 264.7 cells) suppresses iNOS gene expression induced by LPS and/or cytokines in RAVSMC and RAW 264.7 cells at the transcriptional level.

Cell Viability Assay

Cell Line:	RAVSMC and RAW 264.7 cells
Concentration:	10 μM, 30 μM and 100 μM (RAVSMC cells); 1 μM, 10 μM and 100 μM (RAW 264.7 cells)
Incubation Time:	18 hours
Result:	Inhibited the accumulation of nitrite in both RAVSMC and RAW 264.7 exposed to LPS+INF-γ, with IC ₅₀ values of 22 and 30 μM, respectively .

Western Blot Analysis

Cell Line:	RAVSMC and RAW 264.7 cells
Concentration:	10 μΜ, 30 μΜ and 100 μΜ
Incubation Time:	18 hours
Result:	Concentration -dependently inhibited the expression of iNOS protein induced by LPS plus IFN-γ.

in vivo

YS-49 (5 mg/kg; intraperitoneal injection; 8 hours; male Sprague Dawley rats) treatment significantly reduces serum NOx levels in LPS-treated rats, the NOx levels reduce from 86 μM to 34 μM. < /p>

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Animal Model:	Male Sprague Dawley rats (250-300 g)
Dosage:	5 mg/kg
Administration:	Intraperitoneal injection; 8 hours
Result:	Serum NOx levels were significantly reduced.

Spectrum Detail

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