A2B receptor antagonist 2 - ≥99% , CAS No.784-90-7

CAS: 784-90-7 Cat. No.: A646135 Peso molecular: 229.29 PubChem CID: 2853458

GRADE & PURITY ≥99%

Synonyms

2-(4,6,7-trimethylquinazolin-2-yl)guanidine | LS-06684 | AKOS000270442 | SR-01000493214 | MFCD00981386 | A2B receptor antagonist 2 | MLS000688740 | DTXSID30386127 | 2-(4,6,7-Trimethyl-2-quinazolinyl)guanidine | EN300-299452 | EX-A8003D | Z57093758 | N-(4,

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

A2B receptor antagonist 2 (compound 18) is an adenosine receptor A 2B antagonist, with K i values of 2.30 μM, 6.8 μM and 3.44 μM for rA 1 , rA 2A and hA 2B , respectively.

Form:Solid

Specifications

Sinónimos

2-(4, 6, 7-trimethylquinazolin-2-yl)guanidine | LS-06684 | AKOS000270442 | SR-01000493214 | MFCD00981386 | A2B receptor antagonist 2 | MLS000688740 | DTXSID30386127 | 2-(4, 6, 7-Trimethyl-2-quinazolinyl)guanidine | EN300-299452 | EX-A8003D | Z57093758 | N-(4,

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

A2B receptor antagonist 2 (compound 18) is an adenosine receptor A 2B antagonist, with K i values of 2.30 μM, 6.8 μM and 3.44 μM for rA 1 , rA 2A and hA 2B , respectively.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

ANTAGONIST

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC2=C(N=C(N=C2C=C1C)N=C(N)N)C
• IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)guanidine
• InChIKey: JFQDHSRWWLJCBV-UHFFFAOYSA-N
• INCHI: 1S/C12H15N5/c1-6-4-9-8(3)15-12(17-11(13)14)16-10(9)5-7(6)2/h4-5H,1-3H3,(H4,13,14,15,16,17)
• Isómeros SMILES: CC1=CC2=C(N=C(N=C2C=C1C)N=C(N)N)C
• PubChem CID: 2853458
• Peso molecular: 229.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Pyrimidines and pyrimidine derivatives Benzenoids Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Benzenoid - Pyrimidine - Heteroaromatic compound - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• 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)

Huh-7 (12904 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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QRFPR Tchem Pyroglutamylated RFamide peptide receptor (276 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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GMNN Tbio Geminin (128009 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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WRN Tbio Werner syndrome ATP-dependent helicase (8824 Activities)

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Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

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Plasmodium falciparum (966862 Activities)

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Plasmodium yoelii (6656 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 2 mg/mL (8.72 mM; ultrasonic and warming and heat to 60°C)
• Peso molecular: 229.280 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 229.133 Da
• Monoisotopic Mass: 229.133 Da
• Topological Polar Surface Area: 90.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 299.000
• 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