Gamma-Tocotrienol
γ-Tocotrienol · D-G-TOCOTRIENOL · D-γ-Tocotrienol · Gama-Tocotrienol · D-GAMMA-TOCOTRIENOL · (R)-gamma-Tocotrienol · (-)-gamma-Tocotrienol · TOCOTRIENOL, D-GAMMA-
식별자 및 물리적 특성
| CAS No. | 14101-61-2 |
|---|---|
| 분자식 | C28H42O2 |
| 평균 분자량 | 410.6 g/mol |
| 단동위원소 질량 | 410.31848058 g/mol |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |
| InChIKey | OTXNTMVVOOBZCV-WAZJVIJMSA-N |
| PubChem CID | 5282349 |
| ChEMBL | CHEMBL120697 |
| ChEBI | CHEBI:33277 |
| EC No. | 604-216-1 |
| DTXSID | DTXSID101019984 |
화학 및 물리적 성질
| XLogP | 8.9 |
|---|---|
| 극성 표면적 | 29.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 30 |
| 형식 전하 | 0 |
| 복잡도 | 625 |
| Physical Description | Solid |
| Kovats Retention Index | 3170.93083 |
| 끓는 점 | 530.8±49.0 °C(Predicted) |
| 밀도 | 0.964±0.06 g/cm3(Predicted) |
| 저장 조건 | −20°C |
| 용해도 | 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | Liquid |
| pKa(산도 계수) | 11.05±0.40(Predicted) |
| 색상 | 매우 진한 노란색 |
| 생물학적 소스 | Elaeis guineensis |
| 안정성 | 감광성 |
| 주요 응용 | 의약품(소분자)비타민, 기능성 식품 및 천연 제품 |
| InChIKey | OTXNTMVVOOBZCV-WAZJVIJMSA-N |
| SMILES | [C@@]1(C)(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)OC2=C(C)C(C)=C(O)C=C2CC1 |
| LogP(분배 계수) | 10.300 (est) |
화학적 성질
g:d:aTocotrienol 1.6:0.4:1
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 104 of 104 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 104 of 104 reports by companies.There are 0 notifications provided by 0 of 104 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
γ-Tocotrienol is a form of vitamin E that has been found in rice bran and has diverse biological activities. It reduces cell death induced by hydrogen peroxide, paraquat, S-nitrocysteine, SIN-1 , or L-buthionine-(S,R)-sulfoximine (BSO; ) in rat striatal cultures when used at concentrations ranging from 0.1 to 10 μM. γ-Tocotrienol (20 μM) induces apoptosis in malignant sympathoadrenal (+SA) mouse mammary epithelial cells. In vivo, γ-tocotrienol (15, 30, and 150 mg/kg) reduces blood pressure and plasma lipid peroxide levels in spontaneously hypertensive rats. [Matreya, LLC. Catalog No. 2111]
용도
γ-Tocotrienol exhibits antioxidant properties and belongs to the vitamin E family. It is naturally found in wheat germ oil and bran. In addition, α-tocopherol and γ-tocotrienol derivatives are potential lead compounds for developinganticancer andantiproliferative agents againstMCF-7 and MDA-MB-231 breast cancer cells and the A549 lung cancer cells.