Piperonylbutoxide - analytical standard , Cytochrome P450 inhibitor, CAS No.51-03-6, Cytochrome P450 inhibitor

CAS: 51-03-6 Cat. No.: P113865 Formula: C₁₉H₃₀O₅ Peso molecolare: 338.44 Beilstein Registry Number: 288063 Numero EC: 200-076-7

QUALITÀ & PUREZZA Analytical standard

Synonyms

(3,4-Methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|.alpha.-(2-(2-n-Butoxyethoxy)-ethoxy)-4,5-methylenedioxy-2-propyltoluene|3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether|Piperonyl butoxide technical|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether [German]|alpha-(2-(2-n-Butoxyethoxy)-ethoxy)-4,5-methylenedioxy-2-propyltoluene|Ethanol butoxide|6-Propylpiperonyl butyl diethylene glycol ether|PIPERONYL BUTOXIDE [MART.]|Butyl-carbityl (6-propylpiperonyl) ether|Butylcarbityl (6-propylpiperonyl) ether|PBO|5-[2-(2-Butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole|6-(Propylpiperonyl)-butyl carbityl ether|5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole|alpha-[2-(2-butoxyethoxy)ethoxy]-4,5-(methylenedioxy)-2-propyltoluene|PIPERONYL BUTOXIDE [ORANGE BOOK]|Butoxide (synergist)|PIPERONYL BUTOXIDE [WHO-DD]|Scourge (Salt/Mix)|(Butylcarbityl)(6-propylpiperonyl)ether|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether [German]|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|PIPERONYL BUTOXIDE [VANDF]|2-(2-Butoxyethoxy)ethyl 6-propylpiperonyl ether|Piperonyl butoxide in solvent|Butocide|NIA 5273|PIPERONYL BUTOXIDE|Pyrenon|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propylbenzo[d][1,3]dioxole|PIPERONYL BUTOXIDE [MI]|6-(Propylpiperonyl)butylcarbityl ether|Piperonyl butoxide [BSI:ISO]|.alpha.(2-(2-Butoxyethoxy)ethoxy)-4,5-methylenedioxy-2-propyltoluene|Toluene,5-(methylenedioxy)-2-propyl-|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole|Anvil 10+10 ULV (Salt/Mix)|Piperonyl butoxide (BAN)|Piperonyl butoxide [BAN]|1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-|alpha-(2-(2-Butoxyethoxy)ethoxy)-4,5-methylenedioxy-2-propyltoluene|Butacide|PIPERONYL BUTOXIDE [INCI]|Toluene, alpha-(2-(2-butoxyethoxy)ethoxy)-4,5-(methylenedioxy)-2-propyl-|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol|Para Pio (TN)|Rid Mousse (TN)|PIPERONYL BUTOXIDE [HSDB]|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|Butoxide, Piperonyl|5-(2-(2-Butoxyethoxy)ethoxymethyl)-6-propyl-1,3-benzodioxole|Alleviate|PIPERONYL BUTOXIDE [GREEN BOOK]|Piperonyl butoxyde [ISO-French]|Butyl carbitol 6-propylpiperonyl ether|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|FMC 5273|PIPERONYL BUTOXIDE [ISO]|Piperonylbutoxide|piperonyl-butoxide|5-{[(2-{[2-(butyloxy)ethyl]oxy}ethyl)oxy]methyl}-6-propyl-1,3-benzodioxole|PIPERONYL BUTOXIDE [IARC]|3,4-Methylenedioxy-6-propylbenzyl n-butyldiethyleneglycol ether|FAC 5273|Piperonyl butoxyde|.alpha.-[2-(2-N-Butoxyethoxy)-ethoxy]-4,5-methylenedioxy-2-propyltoluene|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol [German]|Piperonyl butoxide, technical|5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-1,3-benzodioxole

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

(3,4-Methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether | .alpha.-(2-(2-n-Butoxyethoxy)-ethoxy)-4,5-methylenedioxy-2-propyltoluene | 3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether | Piperonyl butoxide technical | 3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether [German] | alpha-(2-(2-n-Butoxyet Mostra altro

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Tipo di azione

INHIBITOR

Meccanismo d'azione

Cytochrome P450 inhibitor

Proprietà del prodotto

ALogP

3.7

Nomi e identificatori

Pubchem Sid

528774987

Sorrisi canonici

CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2

IUPAC Name

5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole

InChIKey

FIPWRIJSWJWJAI-UHFFFAOYSA-N

INCHI

1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3

Isomeri SMILES

CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2

WGK Germania

3

RTECS

XS8050000

Numero UN

2810

Gruppo di imballaggio

I

Peso molecolare

338.44

Beilstein

288063

Reaxy-Rn

288063

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=288063&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Benzenoids Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Benzenoid - Oxacycle - Ether - Dialkyl ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• External Descriptors: Synergist

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

Obiettivi associati (umani)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Tetranychus urticae (2600 Activities)

Explore this target

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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

Frankliniella occidentalis (90 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.497-1.507
• Punto di infiammabilità (°F): 170℃
• Punto di infiammabilità (°C): 170℃
• Punto di ebollizione (°C): 180°C
• Peso molecolare: 338.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 338.209 Da
• Monoisotopic Mass: 338.209 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 312.000
• 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