PBD-150 - Moligand™, 10mM in DMSO , Inhibitor of glutaminyl-peptide cyclotransferase, CAS No.790663-33-1, Inhibitor of glutaminyl-peptide cyclotransferase

CAS: 790663-33-1 Cat. No.: P425969 Fórmula: C₁₅H₂₀N₄O₂S Peso molecular: 320.4 PubChem CID: 6539196

GRADE & PURITY Moligand™, 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

PBD-150 is a human glutaminyl cyclase (hQC) Y115E-Y117E variant inhibitor with Ki of 490 nM.

Specifications

Especificações e pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos e fisiológicos

PBD-150 is a human\xa0glutaminyl cyclase (hQC) Y115E-Y117E\xa0variant inhibitor with Ki of 490 nM.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of glutaminyl-peptide cyclotransferase

Nomes e identificadores

• Pubchem Sid: 528766533
• Sorrisos canónicos: COC1=C(C=C(C=C1)NC(=S)NCCCN2C=CN=C2)OC
• IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
• InChIKey: FZQXMGLQANXZRP-UHFFFAOYSA-N
• INCHI: 1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22)
• SMILES isoméricas: COC1=C(C=C(C=C1)NC(=S)NCCCN2C=CN=C2)OC
• PubChem CID: 6539196
• Peso molecular: 320.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylthioureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: Dimethoxybenzenes Methoxyanilines Phenoxy compounds Anisoles Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - N-phenylthiourea - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiourea - Organoheterocyclic compound - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
• 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

Alvos associados (humanos)

QPCT Tchem Glutaminyl-peptide cyclotransferase (3 Activities)

Discover Target: QPCT

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

QPCT Tchem Glutaminyl-peptide cyclotransferase (1121 Activities)

Discover Target: QPCT

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 320.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 320.131 Da
• Monoisotopic Mass: 320.131 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 346.000
• 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