WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 565641
CAS#: 37836-90-1
Description: ZUN36901, also known asCompound 18, MPO-IN-28 and NPYLR7-agonist-18, is a novel potent npylr7 agonist, suppressing mosquito hostseeking and biting behavior, also acting as a potent irreversible myeloperoxidase (mpo) inhibitor. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).
MedKoo Cat#: 565641
Name: ZUN36901
CAS#: 37836-90-1
Chemical Formula: C11H13N5O
Exact Mass: 231.112
Molecular Weight: 231.259
Elemental Analysis: C, 57.13; H, 5.67; N, 30.28; O, 6.92
Synonym: ZUN36901; ZUN-36901; ZUN 36901; NPYLR7-agonist-18; Compound 18: GNF-PF-3346; GNF PF-3346; GNFPF-3346; MPO-IN-28; MPO-IN 28; MPO-IN28;
IUPAC/Chemical Name: 2-(7-Methoxy-4-methyl-2-quinazolinyl)guanidine
InChi Key: ZJBMSSBTCGJZEE-UHFFFAOYSA-N
InChi Code: 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)
SMILES Code: N/C(N)=N/C1=NC(C)=C2C=CC(OC)=CC2=N1
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
| Biological target: | MPO-IN-28 (Compound 28) is a myeloperoxidase (MPO) inhibitor with an IC50 of 44 nM. |
| In vitro activity: | Starting from a set of 727842 compounds, 28 molecules were selected by this virtual method and tested on MPO in vitro. Twelve out of 28 compounds were found to have an IC50 less than 5 μM. The best inhibitors were 2-(7-methoxy-4-methylquinazolin-2-yl)guanidine (28) and (R)-2-(1-((2,3-dihydro-1H-imidazol-2-yl)methyl)pyrrolidin-3-yl)-5-fluoro-1H-benzo[d]imidazole (42) with IC50 values of 44 and 50 nM, respectively. Studies on the mechanism of inhibition suggest that 28 (ZUN36901) is the first potent mechanism-based inhibitor and inhibits irreversibly MPO at nanomolar concentration. Reference: J Med Chem. 2017 Aug 10;60(15):6563-6586. https://pubmed.ncbi.nlm.nih.gov/28671460/ |
| In vivo activity: | TBD |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 34.37 | 148.6 |
The following data is based on the product molecular weight 231.259 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | 1. Soubhye J, Chikh Alard I, Aldib I, Prévost M, Gelbcke M, De Carvalho A, Furtmüller PG, Obinger C, Flemmig J, Tadrent S, Meyer F, Rousseau A, Nève J, Mathieu V, Zouaoui Boudjeltia K, Dufrasne F, Van Antwerpen P. 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. Epub 2017 Jul 19. PMID: 28671460. |
| In vitro protocol: | 1. Soubhye J, Chikh Alard I, Aldib I, Prévost M, Gelbcke M, De Carvalho A, Furtmüller PG, Obinger C, Flemmig J, Tadrent S, Meyer F, Rousseau A, Nève J, Mathieu V, Zouaoui Boudjeltia K, Dufrasne F, Van Antwerpen P. 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. Epub 2017 Jul 19. PMID: 28671460. |
| In vivo protocol: | TBD |
