Verdiperstat - Moligand™, ≥98% , Myeloperoxidase inhibitor, CAS No.890655-80-8, Myeloperoxidase inhibitor

CAS: 890655-80-8 Cat. No.: V412124 Molecular Weight: 253.32 EC Number: 682-454-5 PubChem CID: 11528958

GRADE & PURITY Moligand™, ≥98%

Synonyms

AZD 3241 [WHO-DD] | 1-(2-ISOPROPOXYETHYL)-2-THIOXO-1,2,3,5-TETRAHYDRO-PYRROLO(3,2-D) PYRIMIDIN-4-ONE | 1-(2-Isopropoxyethyl)-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one | VERDIPERSTAT [INN] | 1-(2-Isopropoxyethyl)-2-thioxo-2,3-dihydro-1H-pyr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Verdiperstat Verdiperstat (AZD3241, BHV-3241) is a selective, orally active and irreversible inhibitor of myeloperoxidase (MPO) with IC50 of 630 nM. Verdiperstat (AZD3241) can be used in the research of neurodegenerative brain disorders.

Targets

MPO (Cell-free assay) 630 nM

Specifications

Synonyms

AZD 3241 [WHO-DD] | 1-(2-ISOPROPOXYETHYL)-2-THIOXO-1, 2, 3, 5-TETRAHYDRO-PYRROLO(3, 2-D) PYRIMIDIN-4-ONE | 1-(2-Isopropoxyethyl)-2-thioxo-1, 2, 3, 5-tetrahydro-pyrrolo[3, 2-d]pyrimidin-4-one | VERDIPERSTAT [INN] | 1-(2-Isopropoxyethyl)-2-thioxo-2, 3-dihydro-1H-pyr

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Verdiperstat (AZD3241, BHV-3241) is a selective, orally active and irreversible inhibitor of myeloperoxidase (MPO) with IC50 of 630 nM. Verdiperstat (AZD3241) can be used in the research of neurodegenerative brain disorders.

Storage

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

Myeloperoxidase inhibitor

Purity

≥98%

Product Properties

• ALogP: 2.27
• HBD Count: 2
• Rotatable Bond: 4

Names and Identifiers

• Pubchem Sid: 504766523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766523
• Canonical Smiles: CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2
• IUPAC Name: 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
• InChIKey: FVJCUZCRPIMVLB-UHFFFAOYSA-N
• INCHI: 1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
• Isomeric SMILES: CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2
• PubChem CID: 11528958
• Molecular Weight: 253.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyrimidines
• Alternative Parents: Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Vinylogous amides Pyrroles Heteroaromatic compounds Thioureas Lactams Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidone - Pyrimidinethione - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Pyrrole - Lactam - Thiourea - Dialkyl ether - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

Data sources

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

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)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 51 mg/mL (201.32 mM); Ethanol: 10 mg/mL (39.47 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 51
• DMSO(mM) Max Solubility: 201.326385599242
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 253.320 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 253.088 Da
• Monoisotopic Mass: 253.088 Da
• Topological Polar Surface Area: 89.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 322.000
• 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