4-Butylresorcinol - 10mM in DMSO , CAS No.18979-61-8

CAS: 18979-61-8 Cat. No.: B422327 Summenformel: C₁₀H₁₄O₂ Molekulargewicht: 166.22 EG-Nummer: 606-191-2

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

4-butylbenzene-1,3-diol | HY-107369 | Rucinol (TN) | BCP22040 | C18343 | N-butylresorcinol | VIVINOL | 4-n-Butylresorcinol | NCGC00599698-01 | AKOS006277916 | AMY472 | A813362 | AZURE B [USP-RS] | 1,3-Benzenediol, 4-butyl- | 4-Butylresorcinol;4-n-Butylres

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

4-n-butylresorcinol is a derivative of resorcinol and a potent human tyrosinase inhibitor. It may be used to decrease skin irritation and is also known to inhibit melanin production.

Spezifikationen

Synonyme

4-butylbenzene-1,3-diol | HY-107369 | Rucinol (TN) | BCP22040 | C18343 | N-butylresorcinol | VIVINOL | 4-n-Butylresorcinol | NCGC00599698-01 | AKOS006277916 | AMY472 | A813362 | AZURE B [USP-RS] | 1,3-Benzenediol, 4-butyl- | 4-Butylresorcinol;4-n-Butylres

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

528759918

Kanonisches Lächeln

CCCCC1=C(C=C(C=C1)O)O

IUPAC Name

4-butylbenzene-1,3-diol

InChIKey

CSHZYWUPJWVTMQ-UHFFFAOYSA-N

INCHI

1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3

Isomere SMILES

CCCCC1=C(C=C(C=C1)O)O

RTECS

VH0420000

Molekulargewicht

166.22

Reaxy-Rn

1942645

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1942645&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• External Descriptors: resorcinols

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

Zugehörige Ziele (menschlich)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

B16 (5829 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Tyrp1 5,6-dihydroxyindole-2-carboxylic acid oxidase (3 Activities)

Discover Target: Tyrp1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPO1 Polyphenol oxidase 1 (11 Activities)

Discover Target: PPO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Melan-a (81 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Siedepunkt (°C): 166°C/7mmHg(lit.)
• Schmelzpunkt (°C): 53℃
• Molekulargewicht: 166.220 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099 Da
• Monoisotopic Mass: 166.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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