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

CAS: 784-90-7 Cat. No.: A646135 Molecular Weight: 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

Overview

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

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,

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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.

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC1=CC2=C(N=C(N=C2C=C1C)N=C(N)N)C
• PubChem CID: 2853458
• Molecular Weight: 229.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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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Associated Targets(non-human)

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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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 2 mg/mL (8.72 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 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