ChemicalBook CAS DataBase List 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE

2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE

Product Name2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE
CAS182004-65-5
CBNumberCB6422033
MFC17H21N3O6S2
MW427.49
MDL NumberMFCD00952138
MOL File182004-65-5.mol
MSDS FileSDS

Chemical Properties

Melting point	>214°C (dec.)
storage temp.	Inert atmosphere,2-8°C
solubility	Soluble in DMSO (up to 50 mg/ml).
form	White crystalline solid
color	Tan
Water Solubility	water: 4mg/mL DMSO: 40mg/mL
Stability	Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
InChI	InChI=1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)
InChIKey	WGIKEBHIKKWJLG-UHFFFAOYSA-N
SMILES	S(O)(=O)(=O)C.C(C1C=CC(N(=O)=O)=CC=1)OC1C=CC(CCSC(N)=N)=CC=1
UNSPSC Code	12352200
NACRES	NA.77

Safety

Symbol(GHS)
Signal word	Warning
Hazard statements	H400
Precautionary statements	P273-P391-P501
WGK Germany	WGK 3
HS Code	2930.90.2900
Storage Class	11 - Combustible Solids

2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE Price

Product number	Packaging	Price	Product description	Buy
Sigma-Aldrich 420336-M	5 mg	$165	KB-R7943	Buy
Sigma-Aldrich 420336-M	1 unit	$154	KB-R7943	Buy
TCI Chemical N0966	10mg	$119	S-[4-[(4-Nitrobenzyl)oxy]phenethyl]isothiourea Methanesulfonate >98.0%(HPLC)	Buy
TCI Chemical N0966	50mg	$413	S-[4-[(4-Nitrobenzyl)oxy]phenethyl]isothiourea Methanesulfonate >98.0%(HPLC)	Buy
Cayman Chemical 16352	5mg	$54	KB-R7943 (mesylate) ≥98%	Buy

2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE Chemical Properties,Usage,Production

Description

KB-R7943 (182004-65-5) is a potent and selective inhibitor of the reversed Na+/Ca2+ exchanger (NCE or NCX; IC50‘s = 1.2-2.4 μM in cardiomyocytes, smooth muscle cells, NCX1-transfected fibroblasts1; 0.7 μM in cultured rat forebrain2). KB-R7943 has also been shown to inhibit the mitochondrial Ca2+ uniporter (MCU) Ki = 5.5 μM.3 Recently shown to inhibit complex I in the mitochondrial respiratory chain (IC50 = 11.4 μM) and block NMDA receptors (IC50 = 13.4 μM).4

Uses

KB-R7943 Mesylate is a selective inhibitor of the reverse mode of Na+/Ca2+ exchange in cells expressing NCX1.

General Description

A cell-permeable inhibitor of the influx/reverse mode of the Na⁺/Ca²⁺ exchanger (NCX) (IC₅₀ = 4.3 μM for NCX1, 4.7 μM for NCX2, and 1.4 μM for NCX3). Directly modulates Na⁺/Mg²⁺ exchange in a Ca²⁺-dependent manner. Reported ot offer neuronal and cardio-protection against ischemic injury. Also inhibits nicotinic acetylcholine receptors and NMDA receptor channels (IC₅₀<10 μM).

Biological Activity

Potent, selective inhibitor of the reverse mode of the Na + /Ca 2+ exchanger (IC 50 = 0.7 mM). Does not affect Na + -dependent transport systems, Na + channels or ionotropic glutamate receptors.

Biochem/physiol Actions

Target IC50: 4.3 μM, 4.7 μM, and 1.4 μM for NCX1,NCX2, and NCX3, respectively

storage

Room temperature

References

[1] T IWAMOTO M S T Watano. A novel isothiourea derivative selectively inhibits the reverse mode of Na+/Ca2+ exchange in cells expressing NCX1.[J]. The Journal of Biological Chemistry, 1996, 271 37: 22391-22397. DOI:10.1074/jbc.271.37.22391
[2] K. HOYT. Reverse Na+/Ca2+ exchange contributes to glutamate-induced intracellular Ca2+ concentration increases in cultured rat forebrain neurons.[J]. Molecular Pharmacology, 1998, 53 4 1: 742-749. DOI:10.1124/mol.53.4.742
[3] J SANTO-DOMINGO. The plasma membrane Na+/Ca2+ exchange inhibitor KB-R7943 is also a potent inhibitor of the mitochondrial Ca2+ uniporter[J]. British Journal of Pharmacology, 2009, 151 5: 647-654. DOI:10.1038/sj.bjp.0707260
[4] TATIANA BRUSTOVETSKY. KB-R7943, an inhibitor of the reverse Na+/Ca2+ exchanger, blocks N-methyl-D-aspartate receptor and inhibits mitochondrial complex I[J]. British Journal of Pharmacology, 2010, 162 1: 255-270. DOI:10.1111/j.1476-5381.2010.01054.x

Preparation Products And Raw materials

2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE Supplier

Supplier	Tel	Email	Country	ProdList	Advantage
ATK CHEMICAL COMPANY LIMITED	+undefined-21-51877795	ivan@atkchemical.com	China	33024	60
BOC Sciences	+1-631-485-4226	inquiry@bocsci.com	United States	19553	58
CONIER CHEM AND PHARMA LIMITED	+8618523575427	sales@conier.com	China	49979	58
career henan chemical co	+86-0371-86658258 +8613203830695	factory@coreychem.com	China	29792	58
TargetMol Chemicals Inc.	+1-781-999-5354; +17819995354	marketing@targetmol.com	United States	32466	58
HANGZHOU CLAP TECHNOLOGY CO.,LTD	86-571-88216897,88216896 13588875226	sales@hzclap.com	CHINA	6312	58
Hefei Hirisun Pharmatech Co., Ltd	+8615056975894	shawn@hirisunpharm.com	CHINA	9911	58
Henan Aochuang Chemical Co.,Ltd.	+86-0371-63689365 +8618638391208	sales@aochuangchem.com	China	9333	58
TargetMol Chemicals Inc.	+1-781-999-5354;	support@targetmol.com	United States	39039	58
Wuhan Topule Biopharmaceutical Co., Ltd	+8618327326525	masar@topule.com	China	8467	58

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2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE Spectrum

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