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MPO-IN-28 - 98%, high purity , CAS No.37836-90-1, Inhibitor of myeloperoxidase

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 37836-90-1
Molecular Weight: 231.25
PubChem CID: 2835211
PubChem SID: 504762230

In stock

Item Number

M412317

Grouped product items
SKU	Size	Availability	Price
M412317-5mg	5mg	3	$162.90
M412317-25mg	25mg	3	$733.90
M412317-100mg	100mg	1	$2,640.90
M412317-250mg	250mg	2	$5,941.90

Peroxidases Inhibitors

View related series

Ferroptosis (356) Glucose Metabolism (1943) Glutathione Peroxidase (23) Metabolic Enzyme/Protease (4860) myeloperoxidase Inhibitor (7)

Basic Description

Synonyms	Guanidine,N-(7-methoxy-4-methyl-2-quinazolinyl)-
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	MPO-IN-28 (Compound 28) is an inhibitor of myeloperoxidase (MPO) with IC50 of 44 nM.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of myeloperoxidase
Product Description	Information MPO-IN-28 MPO-IN-28 (Compound 28) is an inhibitor of myeloperoxidase (MPO) with IC50 of 44 nM. Targets MPO (Cell-free assay) 44 nM

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines
      - Level5 Quinazolines
        Level6 Quinazolinamines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Quinazolines
Direct Parent	Quinazolinamines
Alternative Parents	Anisoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazolinamine - Anisole - Alkyl aryl ether - Pyrimidine - Benzenoid - Heteroaromatic compound - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	1.14
hba_count	4
HBD Count	2
Rotatable Bond	2

Associated Targets(Human)

MPO Tchem Myeloperoxidase (3 Activities)

Discover Target: MPO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Huh-7 (12904 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NHDF (1164 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LPO Tbio Lactoperoxidase (15 Activities)

Discover Target: LPO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium yoelii (6656 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504762230
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762230
IUPAC Name	2-(7-methoxy-4-methylquinazolin-2-yl)guanidine
INCHI	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	CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OC
Isomeric SMILES	CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OC
MeSH Entry Terms	2-(7-methoxy-4-methylquinazolin-2-yl)guanidine
Molecular Weight	231.25
Reaxy-Rn	31545131
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31545131&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
J2214624	Certificate of Analysis	Jun 17, 2022	M412317
K2413041	Certificate of Analysis	Jun 17, 2022	M412317
J2214625	Certificate of Analysis	Jun 17, 2022	M412317
J2214626	Certificate of Analysis	Jun 17, 2022	M412317
J2214628	Certificate of Analysis	Jun 17, 2022	M412317

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 46 mg/mL (198.91 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility	46
DMSO(mM) Max Solubility	198.918918918919
Water(mg / mL) Max Solubility	＜1
Molecular Weight	231.250 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	231.112 Da
Monoisotopic Mass	231.112 Da
Topological Polar Surface Area	99.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	292.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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MPO-IN-28 - 98%, high purity , CAS No.37836-90-1, Inhibitor of myeloperoxidase

Basic Description

Taxonomic Classification

Product Properties

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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