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 분자식: C₁₇H₂₇NO₄ 분자량: 309.4 EC 번호: 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

동의어

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

사양 및 순도

Moligand™, 10mM in DMSO

생화학 및 생리적 메커니즘

β-Adrenergic blocker

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Beta-2 adrenergic receptor antagonist

이름과 식별자

• Pubchem Sid: 528774553
• 정식 스마일: 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
• 이성체 SMILES: CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O
• 분자량: 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
    • 분류 Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

화학 및 물리적 특성

• 분자량: 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

참고 문헌

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]