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

CAS: 149847-77-8 Cat. No.: M288394 Summenformel: C₂₃H₂₇N₅O₂ Molekulargewicht: 405.5

Synonyms

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

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Spezifikationen

Synonyme

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

Biochemische und physiologische Mechanismen

Starker und selektiverα1-Adrenozeptor-Antagonist; blutdrucksenkend.

Storage

Raumtemperatur

Verschickt in

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Aktionsart

ANTAGONIST

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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

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Rattus norvegicus (775804 Activities)

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Adra1b Adrenergic receptor alpha-1 (5652 Activities)

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Adra2c Adrenergic receptor alpha-2 (3313 Activities)

Discover Target: Adra2c

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 20.27, Max Conc. mM: 50
• Molekulargewicht: 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