콜레스테릴석시네이트
콜레스테릴석시네이트 · 콜레스테롤헤미석신산염 · CHOLESTERYL HYDROGEN SUCCINATE · cholesterylsuccinate · Cholesterol Succinate · Cholesteryl hemisuccite · CHOLESTERYL HEMISUCCINATE · MONO-CHOLESTERYL-SUCCINATE
식별자 및 물리적 특성
| CAS No. | 1510-21-0 |
|---|---|
| 분자식 | C31H50O4 |
| 평균 분자량 | 486.7 g/mol |
| 단동위원소 질량 | 486.37091008 g/mol |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChIKey | WLNARFZDISHUGS-MIXBDBMTSA-N |
| PubChem CID | 65082 |
| ChEBI | CHEBI:138742 |
| EC No. | 216-148-6 |
| DTXSID | DTXSID10934145 |
| 현지명 | 콜레스테릴석시네이트 |
화학 및 물리적 성질
| XLogP | 8.5 |
|---|---|
| 극성 표면적 | 63.6 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 10 |
| 무거운 원자 수 | 35 |
| 형식 전하 | 0 |
| 복잡도 | 815 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | 178 °C |
| 끓는 점 | 586.0±43.0 °C(Predicted) |
| 밀도 | 1.06±0.1 g/cm3(Predicted) |
| 굴절률 | -34 ° (C=2, CHCl3) |
| 저장 조건 | -20°C |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열, 초음파 처리) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 4.40±0.17(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| 화장품 원료 기능 | 피부 컨디셔닝피부 컨디셔닝 - 보습제 |
| InChIKey | WLNARFZDISHUGS-BLYFUZNHSA-N |
| SMILES | [C@@]12([H])CC=C3C[C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C |&1:0,6,17,19,23,25,28,30,r| |
| LogP(분배 계수) | 10.708 (est) |
안전 및 규제
| GHS 분류 | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Sens. 1 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29171900 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Cholesteryl hemisuccinate is a cholesterol ester with anticancer activity. It inhibits the growth of murine C1498 myeloid and L1210 lymphocytic leukemia cells when used at concentrations of 50 and 150 μM, respectively. Cholesteryl hemisuccinate acts as an ionizable anionic detergent and is commonly used to stabilize unilamellar vesicles and liposomes. It has also been used as an emulsifying agent in various vesicular drug delivery systems for anticancer drugs, antibiotics, and oligonucleotides and to solubilize various proteins including chemokine receptor 1 as well as erythrocyte ghosts.
용도
Cholesteryl Hemisuccinate is an oxidation product of polyunsaturated fatty acid of cholesterol that alters lysosome structure and functions and induces proinflammatory cytokine production in macrophages.
일반 설명
Cholesteryl hemisuccinate (CHEMS) is an acidic cholesterol ester.