SR 59230A hydrochloride - ≥99% , CAS No.1135278-41-9

CAS: 1135278-41-9 Cat. No.: S274668 Peso molecular: 361.91 PubChem CID: 24978529

GRADE & PURITY ≥99%

Synonyms

(2S)-1-(2-Ethylphenoxy)-3-[[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]-2-propanolhydrochloride | (S)-1-(2-ethylphenoxy)-3-(((S)-1,2,3,4-tetrahydronaphthalen-1-yl)amino)propan-2-ol hydrochloride

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

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

Specifications

Sinónimos

(2S)-1-(2-Ethylphenoxy)-3-[[(1S)-1, 2, 3, 4-tetrahydro-1-naphthalenyl]amino]-2-propanolhydrochloride | (S)-1-(2-ethylphenoxy)-3-(((S)-1, 2, 3, 4-tetrahydronaphthalen-1-yl)amino)propan-2-ol hydrochloride

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Potent, selective β 3 adrenoceptor antagonist (IC 50 values are 40, 408 and 648 nM for β 3, β 1 and β 2 , respectively). Orally active in vivo .

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

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. With gentle heating this product rapidly dissolves in water to make a 100mM solution, however the product will quickly come out of solution on cooling. We therefore recommend making 100mM solutions in DMSO unless they are to be used immediately. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504769920
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769920
• Sonrisas canónicas: CCC1=CC=CC=C1OCC(CNC2CCCC3=CC=CC=C23)O.Cl
• IUPAC Name: (2S)-1-(2-ethylphenoxy)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol;hydrochloride
• InChIKey: SHUCXUIOEAAJJL-MKSBGGEFSA-N
• INCHI: 1S/C21H27NO2.ClH/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22-20-12-7-10-17-9-3-5-11-19(17)20;/h3-6,8-9,11,13,18,20,22-23H,2,7,10,12,14-15H2,1H3;1H/t18-,20-;/m0./s1
• Isómeros SMILES: CCC1=CC=CC=C1OC[C@H](CN[C@H]2CCCC3=CC=CC=C23)O.Cl
• PubChem CID: 24978529
• Peso molecular: 361.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Dialkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Ether - Secondary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Alcohol - Hydrochloride - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water to 10 mM and DMSO to 100 mM
• Sensibilidad: Moisture sensitive
• Peso molecular: 361.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 361.181 Da
• Monoisotopic Mass: 361.181 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 362.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

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