Lixazinone , CAS No.94192-59-3

CAS: 94192-59-3 Cat. No.: L669301 Fórmula: C₂₁H₂₈N₄O₃ Peso molecular: 384.5

Synonyms

Lixazinone | Lixazinone [INN] | N-cyclohexyl-N-methyl-4-[(2-oxo-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide | 0FK7P66P1X | Imidazo[2,1-b]quinazoline, butanamide deriv. | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3,5-tetrahydroimidazo(2,1-b)quina

Storage

Room temperature

Specifications

Sinónimos

Lixazinone | Lixazinone [INN] | N-cyclohexyl-N-methyl-4-[(2-oxo-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide | 0FK7P66P1X | Imidazo[2,1-b]quinazoline, butanamide deriv. | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3,5-tetrahydroimidazo(2,1-b)quina

Condições de armazenamento de armazenamento

Room temperature

Propriedades do produto

• ALogP: 1.9

Nomes e identificadores

• Sorrisos canónicos: CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C4NC(=O)CN4C3
• IUPAC Name: N-cyclohexyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
• InChIKey: WUECXCBONAGRSA-UHFFFAOYSA-N
• INCHI: 1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
• SMILES isoméricas: CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C4NC(=O)CN4C3
• Peso molecular: 384.5
• Reaxy-Rn: 5457547
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5457547&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Alpha amino acids and derivatives Alkyl aryl ethers N-acyl amines Imidazolinones Benzenoids Tertiary carboxylic acid amides N-acylimines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Quinazoline - Alkyl aryl ether - Imidazolinone - N-acyl-amine - Benzenoid - 2-imidazoline - Tertiary carboxylic acid amide - Carboxamide group - Guanidine - N-acylimine - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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)

P2RY12 Tclin P2Y purinoceptor 12 (1 Activities)

Discover Target: P2RY12

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

ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

Discover Target: ADRB1

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

P2RY12 Tclin Purinergic receptor P2Y12 (2369 Activities)

Discover Target: P2RY12

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Homo sapiens (32628 Activities)

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PDE4A Tclin Phosphodiesterase 4 (3344 Activities)

Discover Target: PDE4A

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

PDE3A Tclin Phosphodiesterase 3 (1749 Activities)

Discover Target: PDE3A

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

Alvos associados (não humanos)

PDE2A Phosphodiesterase 2A (77 Activities)

Discover Target: PDE2A

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

Canis familiaris (36305 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 384.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 384.216 Da
• Monoisotopic Mass: 384.216 Da
• Topological Polar Surface Area: 74.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 617.000
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 94192-59-3, the molecular formula is C21H28N4O3, and the molecular weight is 384.5 g/mol. InChIKey WUECXCBONAGRSA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.