ChemicalBook--->CAS DataBase List--->504-96-1

504-96-1

504-96-1 Structure

504-96-1 Structure
IdentificationBack Directory
[Name]

7,11,15-trimethyl-3-methylidene-hexadec-1-ene
[CAS]

504-96-1
[Synonyms]

Hsdb 4321
Neophytadiene
2-(4,8,12-Trimethyltridecyl)-1,3-butadiene
2-(4,8,12-Trimethyltridecyl)buta-1,3-diene
3-Methylene-7,11,15-trimethylhexadec-1-ene
7,11,15-Trimethyl-3-methylene-1-hexadecene
1,3-Butadiene, 2-(4,8,12-trimethyltridecyl)-
1-Hexadecene, 7,11,15-trimethyl-3-methylene-
7,11,15-trimethyl-3-methylidene-hexadec-1-ene
[Molecular Formula]

C20H38
[MDL Number]

MFCD18252507
[MOL File]

504-96-1.mol
[Molecular Weight]

278.52
Chemical PropertiesBack Directory
[Appearance]

Colorless Liquid
[Boiling point ]

144-146 °C(Press: 3.5 Torr)
[density ]

0.8168 g/cm3
[storage temp. ]

-20°C Freezer
[solubility ]

Benzene (Slightly), Chloroform (Soluble), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Colourless
[Stability:]

Light Sensitive, Temperature Sensitive
[InChI]

InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3
[InChIKey]

NIDGCIPAMWNKOA-UHFFFAOYSA-N
[SMILES]

C=CC(=C)CCCC(C)CCCC(C)CCCC(C)C
[LogP]

9.522 (est)
[EPA Substance Registry System]

1-Hexadecene, 7,11,15-trimethyl-3-methylene- (504-96-1)
Hazard InformationBack Directory
[Chemical Properties]

Colorless Liquid
[Uses]

Enzyme inhibitor. This product contains up 15% hexanes and up to 5% of the analogous dimer by NMR
[Definition]

ChEBI: Neophytadiene is a diterpene that is 3-methylidenehexadec-1-ene substituted at positions 7, 11 and 15 by a methyl group. It has a role as an anti-inflammatory agent, an antimicrobial agent, a plant metabolite and an algal metabolite. It is an alkene and a diterpene.
[in vivo]

Neophytadiene (50 mg/kg; p.o.; daily; for 7 days) shows dose-dependent reduction in the alanine aminotransferase (ALT) level[1].
Neophytadiene (25-50 mg/kg; p.o.; daily; for 7 days) significantly reduces LPS (10 mg/kg)-increased IL-6 and 1L-10 levels and in heart tissue[1].
Neophytadiene (25-50 mg/kg; p.o.; daily; for 7 days) significantly reduces LPS (10 mg/kg)-increased PGE2 mRNA expression in heart tissue[1].
Neophytadiene significantly inhibits LPS (10 mg/kg)-induced NO production and inflammatory cytokines TNF-α, IL-6 and IL-10 and IL-10 in vivo[1].

Animal Model:Adult male Sprague Dawley rats (6-8 weeks)[1]
Dosage:12 mg/kg, 25 mg/kg, 50 mg/kg
Administration:Oral administration, daily, for 7 days
Result:Decreased haemoglobin (HGB) level, ALT level, and heart tissue TNF-α, IL1β, NF-κB, iNOS, PI3k/AktandMAPK in LPS (10 mg/kg)-treat rats.
Safety DataBack Directory
[Hazardous Substances Data]

504-96-1(Hazardous Substances Data)
Spectrum DetailBack Directory
[Spectrum Detail]

7,11,15-trimethyl-3-methylidene-hexadec-1-ene(504-96-1)1HNMR
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