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

CAS: 890655-80-8 Cat. No.: V412124 Peso molecular: 253.32 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Myeloperoxidase inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: 2.27
• Recuento HBD: 2
• Enlace rotable: 4

Nombres e identificadores

• Pubchem Sid: 504766523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766523
• Sonrisas canónicas: 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)
• Isómeros SMILES: CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2
• PubChem CID: 11528958
• Peso molecular: 253.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

MPO Tchem Myeloperoxidase (3 Activities)

Discover Target: MPO

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 51 mg/mL (201.32 mM); Ethanol: 10 mg/mL (39.47 mM); Water: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 51
• DMSO (mM) Solubilidad máxima: 201.326385599242
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 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