Guanfacine hydrochloride - ≥98%(HPLC) , Adrenergic receptor alpha-2 agonist, CAS No.29110-48-3, Adrenergic receptor alpha-2 agonist

CAS: 29110-48-3 Cat. No.: G133358 Molecular Weight: 282.55 EC Number: 249-443-3 PubChem CID: 71401

GRADE & PURITY ≥98%(HPLC)

Synonyms

AKOS030242245 | Z2696918787 | BS 100-141 | G 1043 | Guanfacine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material | Tox21_110159_1 | Compound B | GUANFACINE HYDROCHLORIDE [MART.] | N-[bis(azanyl)methylidene]-2-[2,6-bis(chlorany

Storage

Room temperature

Shipped In

Normal

Overview

Guanfacine Hydrochloride is a selective α2A-adrenoceptor agonist with anti-hypertensive effect.

Specifications

Synonyms

AKOS030242245 | Z2696918787 | BS 100-141 | G 1043 | Guanfacine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material | Tox21_110159_1 | Compound B | GUANFACINE HYDROCHLORIDE [MART.] | N-[bis(azanyl)methylidene]-2-[2, 6-bis(chlorany

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Selectiveα2A-adrenoceptor agonist (Kd= 31 nM). Displays 60-fold selectivity overα2B-adrenoceptors. Also available as part of theα2-Adrenoceptor Tocriset™.

Storage

Room temperature

Shipped In

Normal

Action Type

AGONIST

Mechanism of action

Adrenergic receptor alpha-2 agonist

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488184651
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184651
• Canonical Smiles: C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl.Cl
• IUPAC Name: N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;hydrochloride
• InChIKey: DGFYECXYGUIODH-UHFFFAOYSA-N
• INCHI: 1S/C9H9Cl2N3O.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;/h1-3H,4H2,(H4,12,13,14,15);1H
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl.Cl
• WGK Germany: 3
• PubChem CID: 71401
• Molecular Weight: 282.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Dichlorobenzenes Acylguanidines Aryl chlorides N-acylimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Organopnictogen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - 1,3-dichlorobenzene - Acylguanidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Guanidine - N-acylimine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organochloride - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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)

CYP2D6 Tclin Cytochrome P450 2D6 (0 Activities)

Discover Target: CYP2D6

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CYP2C19 Tchem Cytochrome P450 2C19 (0 Activities)

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ADRA2A Tclin Alpha-2A adrenergic receptor (0 Activities)

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

NISCH Tclin Nischarin (0 Activities)

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ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

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

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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

AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

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S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)

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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

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U2OS (164939 Activities)

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HepG2 (196354 Activities)

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CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)

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FPR2 Tchem Lipoxin A4 receptor (3472 Activities)

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ENGASE Tchem Endo-beta-N-acetylglucosaminidase (63 Activities)

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FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

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BRPF1 Tchem Peregrin (2217 Activities)

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HEK-293T (167025 Activities)

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

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Aplnr Apelin receptor (201 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

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Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 28.26, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 28.26, Max Conc. mM: 100
• Melt Point(°C): 213 °C
• Molecular Weight: 282.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 280.989 Da
• Monoisotopic Mass: 280.989 Da
• Topological Polar Surface Area: 81.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 256.000
• 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: 2

XLogP3