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499-44-5

499-44-5 structure
499-44-5 structure
  • Name: Hinokitiol
  • Chemical Name: β-thujaplicin
  • CAS Number: 499-44-5
  • Molecular Formula: C10H12O2
  • Molecular Weight: 164.201
  • Catalog: Biochemical Plant extracts
  • Create Date: 2018-09-07 11:34:33
  • Modify Date: 2024-01-02 18:01:01
  • Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities.
Name β-thujaplicin
Synonyms Isopropyltropolone
2-Hydroxy-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
B-THUJAPLICIN
2,4,6-cycloheptatrien-1-one, 2-hydroxy-6-(1-methylethyl)-
2-Hydroxy-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-on
beta-thujaplicin
4-ISOPROPYLTROPOLONE
MFCD00040180
2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-
β-Thujaplicine
EINECS 207-880-7
Hinokitiol
β-Thujaplicin
Hinokitol
2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one
2-hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one
Description Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities.
Related Catalog
Target

DNMT1

Nrf2

In Vitro In U87MG and T98G glioma cell lines, hinokitiol demonstrates a dose-dependent decrease in viability, with IC50 values of 316.5 ± 35.5 and 152.5 ± 25.3 µM, respectively. Hinokitiol represses ALDH activity and self-renewal ability in glioma stem cells, and inhibits in vitro oncogenicity. Hinokitiol also reduces Nrf2 expression in glioma stem cells in a dose-dependent manner[1]. Hinokitiol (0-100 μM) inhibits colon cancer cell growth in a dose- and time-dependent manner. Hinokitiol (5, 10 μM) decreases DNMT1 and UHRF1 mRNA and protein expression, and increases TET1 expression via enhancement of 5hmC level in HCT-116 cells. Furthermore, hinokitiol reduces methylation status and restores mRNA expression of MGMT, CHST10, and BTG4 genes[2].
Cell Assay U87MG and T98G glioma cells are cultured in Dulbecco's modified Eagle's medium with Ham's F12 medium (DMEM/F-12) containing 10% fetal bovine serum. Cell viability is determined using MTT to evaluate the cytotoxicity of hinokitiol. Cells are seeded in 24-well plates (1×105 cells/well) in the presence of various concentration of hinokitiol or vehicle at 37°C for 24 h followed by incubation with MTT reagent. The blue formazan crystals of viable cells are dissolved in DMSO and then evaluated spectrophotometrically at 570 nm. DMSO-treated group is set as 100%, and data are presented as percentage of DMSO control. IC50 values are calculated by the GraFit software.
References

[1]. Ouyang WC, et al. Hinokitiol suppresses cancer stemness and oncogenicity in glioma stem cells by Nrf2 regulation. Cancer Chemother Pharmacol. 2017 Aug;80(2):411-419.

[2]. Seo JS, et al. Hinokitiol induces DNA demethylation via DNMT1 and UHRF1 inhibition in colon cancer cells. BMC Cell Biol. 2017 Feb 27;18(1):14.
Density 1.1±0.1 g/cm3
Boiling Point 303.4±35.0 °C at 760 mmHg
Melting Point 50-52 °C(lit.)
Molecular Formula C10H12O2
Molecular Weight 164.201
Flash Point 128.1±18.5 °C
Exact Mass 164.083725
PSA 37.30000
LogP 1.89
Vapour Pressure 0.0±1.4 mmHg at 25°C
Index of Refraction 1.554

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4200000
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-
CAS REGISTRY NUMBER :
499-44-5
BEILSTEIN REFERENCE NO. :
2045206
LAST UPDATED :
199710
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C10-H12-O2
MOLECULAR WEIGHT :
164.22
WISWESSER LINE NOTATION :
L7VJ BQ DY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570591
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
85 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,755,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
541 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - analgesia Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 91,550,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
128 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - analgesia Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 91,550,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal)
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570591
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,722,1959
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R22
Safety Phrases S36
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS GU4200000
HS Code 2914400090
HS Code 2914400090
Summary 2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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