Nadolol - Moligand™, 10mM in DMSO , Beta-2 adrenergic receptor antagonist, CAS No.42200-33-9, Beta-2 adrenergic receptor antagonist

CAS: 42200-33-9 Cat. No.: N423910 分子式: C₁₇H₂₇NO₄ 分子量: 309.4 EC番号: 255-706-3

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

nadolol|Corgard|42200-33-9|Solgol|SQ-11725|(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol|Anabet|(2R,3S)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol|Corzide component nadolol|Nad

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

nadolol | Corgard | 42200-33-9 | Solgol | SQ-11725 | (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol | Anabet | (2R,3S)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol | Corzide component nadolol | Nad

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

β-Adrenergic blocker

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Beta-2 adrenergic receptor antagonist

名前と識別子

• パブケム・シド: 528774553
• カノニカル・スマイル: 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
• 異性体SMILES: CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O
• 分子量: 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
    • 分類 Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

化学的性質と物理的性質

• 分子量: 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

参考文献

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]