Dexmedetomidine HCl - Moligand™, ≥98% , Adrenergic receptor alpha-2 agonist, CAS No.145108-58-3, Adrenergic receptor alpha-2 agonist

CAS: 145108-58-3 Cat. No.: D129813 Formula: C₁₃H₁₆N₂·HCl Peso molecolare: 236.74 Numero EC: 682-047-2

GRADE & PURITY Moligand™, ≥98%

Synonyms

(S)-4-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazol monohydrochloride | Q-100166 | SW219607-2 | Z1617901127 | DEXMEDETOMIDINE HYDROCHLORIDE (USP-RS) | DexmedVet | (S)-4-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole hydrochloride | (S)-4-(alpha,2,3-Trimethybenzy

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Dexmedetomidine HCl is a highly selective and potent alpha-2 adrenoceptor agonist, which reduces anesthetic requirements for patients by providing significant sedation.
An active isomer of medetomide, a potent and highly selective α2-adrenoceptor agonist.

Specifications

Sinonimi

(S)-4-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazol monohydrochloride | Q-100166 | SW219607-2 | Z1617901127 | DEXMEDETOMIDINE HYDROCHLORIDE (USP-RS) | DexmedVet | (S)-4-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole hydrochloride | (S)-4-(alpha,2,3-Trimethybenzy

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

Dexmedetomidine hydrochloride is a highly potent and selective α2-adrenergic agonist with analgesic and sedative properties, the (+)-isomer of medetomidine. Dexmedetomidine hydrochloride is used clinically as an anesthetic agent to reduce anxiety and tens

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Grado

Moligand™

Tipo di azione

AGONIST

Meccanismo d'azione

Adrenergic receptor alpha-2 agonist

Nota

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.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504764346
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764346
• Sorrisi canonici: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl
• IUPAC Name: 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride
• InChIKey: VPNGEIHDPSLNMU-MERQFXBCSA-N
• INCHI: 1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1
• Isomeri SMILES: CC1=C(C(=CC=C1)[C@H](C)C2=CN=CN2)C.Cl
• WGK Germania: 3
• RTECS: NI5156750
• Peso molecolare: 236.74
• Reaxy-Rn: 5362300
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5362300&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: o-Xylenes
• Alternative Parents: Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-xylene - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
• External Descriptors: medetomidine hydrochloride

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

Obiettivi associati (umani)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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

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

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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

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GPR35 Tchem G-protein coupled receptor 35 (2643 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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Obiettivi associati (non umani)

Aplnr Apelin receptor (201 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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Fgfr3 Fibroblast growth factor receptor 3 (21 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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SARS-CoV-2 (38078 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (100 mM), DMSO (48 mg/ml), and ethanol (48 mg/ml).
• Sensibilità: Heat Sensitive;Moisture sensitive
• Rotazione specifica [α]: 51° (C=1,H2O)
• Punto di fusione (°C): 158 °C
• Peso molecolare: 236.740 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 236.108 Da
• Monoisotopic Mass: 236.108 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 205.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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