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MRS 2578

Name: MRS 2578
Brand: 2A Biotech
SKU: 2A-1175017

CAS Number711019-86-2

SynonymsMRS 2578; MRS2578

Molecular FormulaC20H20N6S4

Molecular Weight472.67

Purity≥95 (HPLC)%

Density1.3±0.1 g/cm3

Boiling Point652.7±65.0 °C at 760 mmHg

Appearancepowder

MSDSChinese English

Cat. No.: 2A-1175017 Purity: ≥95 (HPLC)%

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Quality Control of [ 711019-86-2 ] Purity: ≥95 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number	711019-86-2
Catalog No.	2A-1175017
Chinese Name	N,N''-1,4-丁烷二基双[N'-(3-异异硫氰基苯基)硫脲
Synonyms	MRS 2578; MRS2578
Molecular Formula	C20H20N6S4
Molecular Weight	472.67
Purity	≥95 (HPLC)
Density	1.3±0.1 g/cm3
Boiling Point	652.7±65.0 °C at 760 mmHg
Appearance	powder
Water Solubility	DMSO: ~17 mg/mL
Storage Condition	2-8°C
Application	MRS2578 is a P2Y6 receptor antagonist with an IC50 of 37 nM and weak inhibition of P2Y1, P2Y2, P2Y4 and P2Y11 receptors.
PubChem ID	24724530
MDL Number	MFCD07370141
SMILES	S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(c2)N=C=S)c1
InChI	1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)
InChI Key	QOHNRGHTJPFMSL-UHFFFAOYSA-N
NACRES Code	NA.77
UNSPSC	12352200
MSDS	msds/175419_1_711019_86_2.pdf
Bioactivity	MRS2578 is a potent P2Y6 receptor antagonist with IC50 of 37 nM, exhibits insignificant activity at P2Y1, P2Y2, P2Y4,and P2Y11 receptors.IC50 value: 37 nM [1]Target: P2Y6 receptorin vitro: MRS2578 selectively blocks P2Y6 receptor activity versus activity at P2Y1, P2Y2, P2Y4 or P2Y11 receptors. MRS2578 (1 μM) completely blocks the protection by UDP undergoing TNFalpha-induced apoptosis in 1321N1 astrocytoma cells [1]. MRS 2578 inhibits basal NF-κB activity in time and dose dependent manner in HMEC-1 cells transfected with 0.25 μg NF-κB promoter reporter. MRS 2578 (10 μM) completely abolishes TNF-α induced NF-κB reporter activity in HMEC-1 cells. MRS 2578 (10 μM) significant reduces TNF-α-induced proinflammatory gene expression in HMEC-1 cells [2]. MRS2578-treated mice shows reduced bronchial hyperresponsiveness toward methacholine in OVA-sensitized mice. MRS2578 completely blocks UDP-induced the release of IL-6, KC, and IL-8 in lung epithelial cells [3]. in vivo: MRS 2578 (10 μM) attenuates Keratinocyte-derived chemokine serum protein levels in LPS-induced vascular inflammation in C57BL/6 mice [2]. MRS2578 (10 μM, intratracheally) reduces BALF eosinophilia and the levels of IL-5 and IL-13 in the BALF in OVA-sensitized mice and leads to a markedly attenuated change in methacholine responsiveness after OVA challenge. MRS2578 (10 μM, intratracheally) inhibits house dust mite-induced allergic airway inflammation in OVA-sensitized mice. MRS2578 (10 μM, intratracheally) reduces of IL-6 and KC levels in BALF in OVA-sensitized mice [4]. Related Catalog Signaling Pathways >> GPCR/G Protein >> P2Y Receptor Research Areas >> Cardiovascular Disease References [1]. Mamedova LK, et al. Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors. Biochem Pharmacol, 2004, 67(9), 1763-1770. [2]. Riegel AK, et al. Selective induction of endothelial P2Y6 nucleotide receptor promotes vascular inflammation. Blood, 2011, 117(8), 2548-2555. [3]. Vieira RP, et al. Purinergic receptor type 6 contributes to airway inflammation and remodeling in experimental allergic airway inflammation. Am J Respir Crit Care Med, 2011, 184(2), 215-223. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 652.7±65.0 °C at 760 mmHg Molecular Formula C20H20N6S4 Molecular Weight 472.673 Flash Point 348.5±34.3 °C Exact Mass 472.063232 PSA 201.20000 LogP 5.10 Vapour Pressure 0.0±2.0 mmHg at 25°C Index of Refraction 1.687 InChIKey QOHNRGHTJPFMSL-UHFFFAOYSA-N SMILES S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(N=C=S)c2)c1 Storage condition 2-8°C Water Solubility DMSO: ~17 mg/mL
Use of	Properties Name 1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea Synonym More Synonyms MRS 2578 Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> P2Y Receptor Research Areas >> Cardiovascular Disease References [1]. Mamedova LK, et al. Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors. Biochem Pharmacol, 2004, 67(9), 1763-1770. [2]. Riegel AK, et al. Selective induction of endothelial P2Y6 nucleotide receptor promotes vascular inflammation. Blood, 2011, 117(8), 2548-2555. Chemical & Physical Properties Molecular Formula C20H20N6S4 Exact Mass 472.063232 PSA 201.20000 Index of Refraction 1.687 InChIKey QOHNRGHTJPFMSL-UHFFFAOYSA-N
Transport Info	Product name: MRS 2578

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MRS 2578

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