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AZM198

CAT: 0804-HY-W996116-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W996116-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZM198 is a selective, orally active, and irreversible MPO inhibitor with an IC50 of 15.0 nM. AZM198 has an IC50 of 19 μM for CYP3A4. AZM198 has favorable lipophilicity, membrane permeability, metabolic stability, safety, and pharmacokinetic properties. AZM198 exhibits activity in improving vascular function, atherosclerotic plaques, pulmonary hypertension, kidney disease, visceral inflammatory fat deposition, ectopic fat deposition, and hepatic fibrosis[1].
CAS Number
1933460-23-1
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Cytochrome P450; Glutathione Peroxidase
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Field of Research
Metabolic Disease; Inflammation/Immunology; Cardiovascular Disease
Smiles
O=C1NC(N(CC2=CC=C(C=C2CN)Cl)C3=C1NC=C3)=S
Molecular Formula
C14H13ClN4OS
Molecular Weight
320.80
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Inghardt T, et al. Discovery of AZD4831, a Mechanism-Based Irreversible Inhibitor of Myeloperoxidase, As a Potential Treatment for Heart Failure with Preserved Ejection Fraction. J Med Chem. 2022 Sep 8;65 (17) :11485-11496.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CYP3

Chemical Information

1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CAS Number1933460-23-1
PubChem CID121362436
IUPAC Name1-[[2-(aminomethyl)-4-chlorophenyl]methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
Molecular FormulaC14H13ClN4OS
Molecular Weight320.8
XLogP1.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity435
SMILES
C1=CC(=C(C=C1Cl)CN)CN2C3=C(C(=O)NC2=S)NC=C3
InChI
InChI=1S/C14H13ClN4OS/c15-10-2-1-8(9(5-10)6-16)7-19-11-3-4-17-12(11)13(20)18-14(19)21/h1-5,17H,6-7,16H2,(H,18,20,21)
InChIKey
MFCVOLWLNXXQFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CAS: 1933460-23-1
CID: 121362436
Formula: C14H13ClN4OS
MW: 320.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.8
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass320.0498599
Monoisotopic Mass320.0498599
Topological Polar Surface Area106 Ų
Heavy Atom Count21
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19263300-01AZM198

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