Guanabenz Acetate - Moligand™,≥98%(HPLC) , Adrenergic receptor alpha-2 agonist, CAS No.23256-50-0, Adrenergic receptor alpha-2 agonist

CAS: 23256-50-0 Cat. No.: G156852 Molecular Weight: 291.13 EC Number: 245-534-7

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

CCG-221905 | EN300-18543985 | GUANABENZ ACETATE [ORANGE BOOK] | (E)-1-(2,6-Dichlorobenzylideneamino)guanidine monoacetate | SR-01000075268-5 | GUANABENZ ACETATE [JAN] | HMS3411D06 | SCHEMBL40594 | Palanil Orange 5R | A924690 | ChemDiv3_003182 | A13635 | G

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Guanabenz Acetate is a specific agonist of Adrenergic Receptor. The pEC50 for α2a-Adrenergic Receptor, α2b-Adrenergic Receptor and α2c-Adrenergic Receptor is 8.25, 7.01 and ~5, respectively.

Specifications

Synonyms

CCG-221905 | EN300-18543985 | GUANABENZ ACETATE [ORANGE BOOK] | (E)-1-(2, 6-Dichlorobenzylideneamino)guanidine monoacetate | SR-01000075268-5 | GUANABENZ ACETATE [JAN] | HMS3411D06 | SCHEMBL40594 | Palanil Orange 5R | A924690 | ChemDiv3_003182 | A13635 | G

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Centrally acting, selective alpha 2 adrenoceptor agonist. I 2 imidazoline binding site selective ligand. Antihypertensive.

Storage

Protected from light, Room temperature

Shipped In

Normal

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Adrenergic receptor alpha-2 agonist

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504763905
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763905
• Canonical Smiles: CC(=O)O.C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl
• IUPAC Name: acetic acid;2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine
• InChIKey: MCSPBPXATWBACD-GAYQJXMFSA-N
• INCHI: 1S/C8H8Cl2N4.C2H4O2/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4)/b13-4+
• Isomeric SMILES: CC(=O)O.C1=CC(=C(C(=C1)Cl)/C=N/N=C(N)N)Cl
• WGK Germany: 3
• RTECS: MF0382000
• Molecular Weight: 291.13
• Reaxy-Rn: 5841055
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5841055&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Guanidines Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: 1,3-dichlorobenzene - Aryl chloride - Aryl halide - Guanidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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HepG2 (196354 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

Discover Target: SNCA

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

Discover Target: IDH1

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water; Degree of Solubility in water: 11 g/l 25 °C; Soluble in Alcohol; Very slightly soluble in Chloroform
• Sensitivity: Light sensitive
• Melt Point(°C): 188-192℃
• Molecular Weight: 291.130 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 290.034 Da
• Monoisotopic Mass: 290.034 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 259.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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