2-MPMDQ , CAS No.149847-77-8

CAS: 149847-77-8 Cat. No.: M288394 Fórmula: C₂₃H₂₇N₅O₂ Peso molecular: 405.5

Synonyms

2-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl-6-methyl-2,3-dihydroimidazo[1,2c]quinazolin-5(6H)-one

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

2-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl-6-methyl-2,3-dihydroimidazo[1,2c]quinazolin-5(6H)-one

Mecanismos bioquímicos e fisiológicos

Potent and selectiveα1-adrenoceptor antagonist; hypotensive.

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Tipo de ação

ANTAGONIST

Nomes e identificadores

Sorrisos canónicos

CN1C2=CC=CC=C2C3=NC(CN3C1=O)CN4CCN(CC4)C5=CC=CC=C5OC

IUPAC Name

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one

InChIKey

OULFYKAESNCMFJ-UHFFFAOYSA-N

INCHI

1S/C23H27N5O2/c1-25-19-8-4-3-7-18(19)22-24-17(16-28(22)23(25)29)15-26-11-13-27(14-12-26)20-9-5-6-10-21(20)30-2/h3-10,17H,11-16H2,1-2H3

SMILES isoméricas

CN1C2=CC=CC=C2C3=NC(CN3C1=O)CN4CCN(CC4)C5=CC=CC=C5OC

Peso molecular

405.5

Reaxy-Rn

6618839

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6618839&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Quinazolines Aminophenyl ethers Methoxyanilines Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds Pyrimidones N-alkylpiperazines Alkyl aryl ethers Imidazolines Trialkylamines Ureas Carboximidamides Carboxamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Diazanaphthalene - Quinazoline - Aminophenyl ether - Methoxyaniline - Tertiary aliphatic/aromatic amine - Phenoxy compound - Dialkylarylamine - Aniline or substituted anilines - Anisole - Methoxybenzene - Phenol ether - N-alkylpiperazine - Alkyl aryl ether - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Pyrimidine - 2-imidazoline - Carbonic acid derivative - Urea - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Amidine - Carboximidamide - Carboxylic acid amidine - Ether - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

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

Alvos associados (não humanos)

Rattus norvegicus (775804 Activities)

Explore this target

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

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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

Adra2c Adrenergic receptor alpha-2 (3313 Activities)

Discover Target: Adra2c

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 20.27, Max Conc. mM: 50
• Peso molecular: 405.500 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 405.216 Da
• Monoisotopic Mass: 405.216 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 662.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1