Nadolol - Moligand™, ≥98% , Beta-2 adrenergic receptor antagonist, CAS No.42200-33-9, Beta-2 adrenergic receptor antagonist

CAS: 42200-33-9 Cat. No.: N137235 Peso molecular: 309.4 Número EC: 255-706-3

GRADE & PURITY Moligand™, ≥98%

Synonyms

EN300-50860 | Prestwick1_000818 | HMS2233E12 | KBio3_002652 | C07AA12 | DivK1c_000427 | Spectrum2_001546 | DTXSID3023342 | (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol | HMS3714D17 | NADOLOL [EP MONOGRAPH] | NCGC

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

EN300-50860 | Prestwick1_000818 | HMS2233E12 | KBio3_002652 | C07AA12 | DivK1c_000427 | Spectrum2_001546 | DTXSID3023342 | (2R, 3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1, 2, 3, 4-tetrahydronaphthalene-2, 3-diol | HMS3714D17 | NADOLOL [EP MONOGRAPH] | NCGC

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

β-Adrenergic blocker

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.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Beta-2 adrenergic receptor antagonist

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753582
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753582
• Sonrisas canónicas: CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O
• IUPAC Name: (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
• InChIKey: VWPOSFSPZNDTMJ-UCWKZMIHSA-N
• INCHI: 1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
• Isómeros SMILES: CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O
• Peso molecular: 309.4
• Reaxy-Rn: 2059000
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2059000&ln=

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: Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Alkyl aryl ether - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Ether - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - 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

Objetivos asociados (humanos)

ADRB2 Tclin Beta-2 adrenergic receptor (0 Activities)

Discover Target: ADRB2

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

ADRB3 Tclin Beta-3 adrenergic receptor (1 Activities)

Discover Target: ADRB3

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

ADRB1 Tclin Beta-1 adrenergic receptor (1 Activities)

Discover Target: ADRB1

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

Propiedades químicas y físicas

• Peso molecular: 309.400 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 309.194 Da
• Monoisotopic Mass: 309.194 Da
• Topological Polar Surface Area: 82.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 344.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 1

Referencias

1. Wei Zhu, Pei Zhao, Tingting Liu, Feng Gao, Qi Li, Xin Cai, Man Zhang, Alex Aliper, Feng Ren, Alex Zhavoronkov, Xiao Ding.  (2025)  Discovery of Novel SIK2/3 Inhibitors for the Potential Treatment of MEF2C+ Acute Myeloid Leukemia (AML).  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:40111261] [10.1021/acs.jmedchem.4c03225]

2. Xiang Yuqian, Huang Yu, Yan Xiaohui, Zhu Zhipeng, Wu Dapeng, Gao Peng, Li Jiulong.  (2024)  Retention and Selectivity on Hydrophilic Interaction Liquid Chromatography Columns Modified with Polyethylene Glycol of Different Chain Length.  CHROMATOGRAPHIA,      [PMID:] [10.1007/s10337-024-04363-7]