ChemicalBook--->CAS DataBase List--->37836-90-1

37836-90-1

37836-90-1 Structure

37836-90-1 Structure
IdentificationBack Directory
[Name]

2-(7-methoxy-4-methylquinazolin-2-yl)guanidine
[CAS]

37836-90-1
[Synonyms]

MPO inhibitor 28
Myeloperoxidase inhibitor 28
2-(7-methoxy-4-methylquinazolin-2-yl)guanidine
Guanidine, N-(7-methoxy-4-methyl-2-quinazolinyl)-
[Molecular Formula]

C11H13N5O
[MOL File]

37836-90-1.mol
[Molecular Weight]

231.25
Chemical PropertiesBack Directory
[Boiling point ]

442.7±37.0 °C(Predicted)
[density ]

1.40±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[solubility ]

DMSO:34.37(Max Conc. mg/mL);148.6(Max Conc. mM)
[form ]

A solid
[pka]

7.83±0.30(Predicted)
[color ]

Off-white to light yellow
[InChI]

1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
[InChIKey]

ZJBMSSBTCGJZEE-UHFFFAOYSA-N
[SMILES]

N(c1nc2c(c(n1)C)ccc(c2)OC)\C(=N\[H])\N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

MPO-IN-28 is a selective myeloperoxidase (MPO) inhibitor with an IC50 of 44 nM. MPO-IN-28 can effectively inhibit MPO-mediated low-density lipoprotein oxidation with an IC50 of 90 nM[1].
[Biological Activity]

Compound 18 is an agonist of Aedes aegypti mosquitoes NPY-like receptor 7 (NPYLR7) th at inhibit mosquito attraction to humans and other hosts. Compound 18 suppresses biting and blood-feeding on a live host. AlsoIt (MPO-IN-28) is a potent myeloperoxidase (MPO) inhibitor with an IC50 of 44 nM.
[References]

[1] Soubhye J, et al. Discovery of Novel Potent Reversible and Irreversible Myeloperoxidase Inhibitors Using Virtual Screening Procedure. J Med Chem. 2017 Aug 10;60(15):6563-6586. DOI:10.1021/acs.jmedchem.7b00285
Spectrum DetailBack Directory
[Spectrum Detail]

2-(7-methoxy-4-methylquinazolin-2-yl)guanidine(37836-90-1)1HNMR
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