SKF 83566 hydrobromide - ≥95% , CAS No.108179-91-5

CAS: 108179-91-5 Cat. No.: S275802 Summenformel: C₁₇H₁₈BrNO.HBr Molekulargewicht: 413.15 EG-Nummer: 846-347-9 PubChem CID: 23581817

GRADE & PURITY ≥95%

Synonyms

MLS000758232 | DTXSID6042606 | AMY38997 | CCG-100754 | CPD000449276 | MLS001423981 | 8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol hydrobromide | Q418109 | AS-73704 | SKF83566 hydrobromide | 8-bromo-3-methyl-5-phenyl-2,3,4,5-tetrahyd

Storage

Room temperature,Desiccated

Shipped In

Normal

Übersicht

Store at Room Temperature. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyme

MLS000758232 | DTXSID6042606 | AMY38997 | CCG-100754 | CPD000449276 | MLS001423981 | 8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol hydrobromide | Q418109 | AS-73704 | SKF83566 hydrobromide | 8-bromo-3-methyl-5-phenyl-2,3,4,5-tetrahyd

Spezifikationen & Reinheit

≥95%

Biochemische und physiologische Mechanismen

Potent, selective D 1 receptor antagonist (K i = 0.4 nM). Centrally active following systemic administration. Various neurological effects in vitro and in vivo .

Storage

Room temperature,Desiccated

Verschickt in

Normal

Hinweis

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.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488200353
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200353
• Kanonisches Lächeln: CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Br.Br
• IUPAC Name: 8-bromo-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrobromide
• InChIKey: SDQJYYGODYRPBR-UHFFFAOYSA-N
• INCHI: 1S/C17H18BrNO.BrH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H
• Isomere SMILES: CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Br.Br
• PubChem CID: 23581817
• Molekulargewicht: 413.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzazepines
• Alternative Parents: O-bromophenols Azepines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Aryl bromides Trialkylamines Azacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - 2-halophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Aralkylamine - Phenol - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrobromide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
• 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

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ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

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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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LMNA Tbio Prelamin-A/C (36751 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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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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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water to 5 mM, in ethanol to 25 mM and in DMSO to 100 mM
• Molekulargewicht: 413.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 412.981 Da
• Monoisotopic Mass: 410.983 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 318.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3