Nylidrin Hydrochloride - ≥99% , CAS No.849-55-8

CAS: 849-55-8 Cat. No.: N413257 분자식: C₁₉H₂₅NO₂.HCl 분자량: 335.87 EC 번호: 212-701-0

GRADE & PURITY ≥99%

Synonyms

12R07I1K8C | 4-(1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl)phenol hydrochloride | AMY23363 | Buphenine HCl | EC69E3PW7E | AS-19644 | s5267 | DTXSID4039233 | NCGC00094222-04 | HY-B1404 | Pharmakon1600-01500445 | P-HYDROXY-.ALPHA.-(1-((1-METHYL-3-PHENYLPRO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

Nylidrin Hydrochloride (Buphenine), aβ-adrenergicagonist, is used therapeutically for its vasodilating effect on the peripheral circulation and possibly on the cerebral circulation as well.

Targets

β-adrenergic receptor

Specifications

동의어

12R07I1K8C | 4-(1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl)phenol hydrochloride | AMY23363 | Buphenine HCl | EC69E3PW7E | AS-19644 | s5267 | DTXSID4039233 | NCGC00094222-04 | HY-B1404 | Pharmakon1600-01500445 | P-HYDROXY-.ALPHA.-(1-((1-METHYL-3-PHENYLPRO

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Nylidrin Hydrochloride (Buphenine), a β-adrenergic agonist, is used therapeutically for its vasodilating effect on the peripheral circulation and possibly on the cerebral circulation as well.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥99%

제품 특성

• ALogP: 4.112
• HBD 수: 3
• 회전 가능한 결합: 7

이름과 식별자

• Pubchem Sid: 504763907
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763907
• 정식 스마일: CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl
• IUPAC Name: 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol;hydrochloride
• InChIKey: CLJHABUMMDMAFA-UHFFFAOYSA-N
• INCHI: 1S/C19H25NO2.ClH/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17;/h3-7,10-15,19-22H,8-9H2,1-2H3;1H
• 이성체 SMILES: CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl
• 분자량: 335.87
• Reaxy-Rn: 4166703
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4166703&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organic zwitterion - Aromatic alcohol - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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TRPV1 Tclin Vanilloid receptor (8273 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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관련 대상(비인간)

ampC Beta-lactamase AmpC (62480 Activities)

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Plasmodium falciparum (966862 Activities)

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Cavia porcellus (23802 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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nfo Endonuclease 4 (425 Activities)

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Adra1b Adrenergic receptor alpha-1 (5652 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 67 mg/mL (199.48 mM); Ethanol: 10 mg/mL (29.77 mM); Water: 2 mg/mL (5.95 mM)
• 감도: Moisture sensitive
• 물(mg/mL) 최대 용해도: 67
• 물(mM) 최대 용해도: 199.481942418198
• 분자량: 335.900 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 335.165 Da
• Monoisotopic Mass: 335.165 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 296.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3