콜레스테릴석시네이트
Cholesteryl hemisuccinate
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
1510-21-0- 표준 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- 분자식
- C31H50O4
- 평균 분자량
- 486.7 g/mol
- 단동위원소 질량
- 486.37091008
개요
Cholesteryl hemisuccinate is a dicarboxylic acid monoester resulting from the formal condensation of the hydroxy group of cholesterol with one of the carboxy groups of succinic acid. A detergent that is often used to replace cholesterol in protein crystallography, biochemical studies of proteins, and pharmacology. It has a role as a detergent. It is a cholestane ester, a hemisuccinate and a dicarboxylic acid monoester. It is functionally related to a cholesterol.
이름 및 식별자
- 우선 이름
- Cholesteryl hemisuccinate
- IUPAC
- 4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
- 현지명
- 콜레스테릴석시네이트
- 영어명
- Cholesteryl hemisuccinate
- 분자식
- C31H50O4
- 분자량
- 486.73
이름 및 동의어
Cholesteryl hemisuccinate1510-21-0Cholesteryl succinatemonocholesteryl succinateT3J4KS4201CHEBI:138742NSC-628321RefChem:576072216-148-6Cholesterol Hydrogen SuccinateCholesterol hemisuccinateCHEMS
이름 더 보기
콜레스테릴석시네이트콜레스테롤헤미석신산염cholesterylsuccinateCholesterol SuccinateCholesteryl hemisucciteMONO-CHOLESTERYL-SUCCINATE5-CHOLESTEN-3β-OL HEMISUCCINATECholesterol Hydrogen Succinate >5-CHOLESTEN-3-BETA-OL HEMISUCCINATE
Cholesteryl hydrogen succinateMFCD000377054-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acidCholest-5-en-3beta-yl hydrogen succinateSuccinic Acid Monocholesterol Ester3-cholesteryloxycarbonylpropanoic acidCholest-5-en-3-ol (3.beta.)-, hydrogen butanedioateCholest-5-en-3-ol (3beta)-, 3-(hydrogen butanedioate)
물성
구조 계산 물성보충 중
- XLogP
- 8.5
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 815
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 178 °C · 178 °C
- 끓는 점
- 586 · 586.0±43.0 °C(Predicted)
- 밀도
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- 굴절률
- -34 ° · -34 ° (C=2, CHCl3)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열, 초음파 처리)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.4 · 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
- 10.708 · 10.708 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (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.
유해성 정보
Hazard Classes and CategoriesSkin Sens. 1 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29171900
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Cholesteryl 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.
용도Cholesteryl 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 설명Cholesteryl hemisuccinate (CHEMS) is an acidic cholesterol ester.
상·하류 제품 정보
상류 원료
관련 반응
6건
화합물 노트
불러오는 중…