butoxamine - Moligand™ , Antagonist of β 2-adrenoceptor, CAS No.B608258, Antagonist of β 2-adrenoceptor

CAS: B608258 Cat. No.: B608258

GRADE & PURITY Moligand™

Synonyms

alpha-(1-(tert-Butylamino)ethyl)-2,5-dimethoxybenzyl alcohol | BDBM81887 | Benzenemethanol, alpha-(1-((1,1-dimethylethyl)amino)ethyl)-2,5-dimethoxy- | BENZENEMETHANOL, A-[(1R)-1-[(1,1-DIMETHYLETHYL)AMINO]ETHYL]-2,5-DIMETHOXY-,(AS)-REL- | (1r,2s)-2-(tert-b

Storage

Room temperature

Specifications

동의어

alpha-(1-(tert-Butylamino)ethyl)-2,5-dimethoxybenzyl alcohol | BDBM81887 | Benzenemethanol, alpha-(1-((1,1-dimethylethyl)amino)ethyl)-2,5-dimethoxy- | BENZENEMETHANOL, A-[(1R)-1-[(1,1-DIMETHYLETHYL)AMINO]ETHYL]-2,5-DIMETHOXY-,(AS)-REL- | (1r,2s)-2-(tert-b

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of β 2-adrenoceptor

이름과 식별자

• 정식 스마일: COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC
• IUPAC Name: 2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
• InChIKey: TWUSDDMONZULSC-UHFFFAOYSA-N
• INCHI: 1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3
• 이성체 SMILES: C[C@@H]([C@@H](C1=C(C=CC(=C1)OC)OC)O)NC(C)(C)C
• Reaxy-Rn: 4140944
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4140944&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenylpropanes Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dimethoxybenzene - P-dimethoxybenzene - Phenylpropane - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Ether - Secondary aliphatic amine - Aromatic alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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)

ADRB2 Tclin Beta-2 adrenergic receptor (1 Activities)

Discover Target: ADRB2

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

화학 및 물리적 특성

• 분자량: 267.360 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 267.183 Da
• Monoisotopic Mass: 267.183 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 265.000
• 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: 1

자주 묻는 질문

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is B608258. InChIKey TWUSDDMONZULSC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.