콜레스테릴석시네이트

4-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid

HCID 500055CAS 1510-21-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)O)CCC4(C)C3CCC12C
InChIKey: WLNARFZDISHUGS-UHFFFAOYSA-N
분자식: C31H50O4
평균 분자량: 486.7 g/mol

이름 및 식별자

우선 이름: 4-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid
IUPAC: 4-[[10,13-dimethyl-17-(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

4-(Cholest-5-en-3-yloxy)-4-oxobutanoic acid4-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acidNSC628321SCHEMBL463416orb3033164AKOS0243195204-[[10,13-dimethyl-17-(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 acidLS-15319DB-043075콜레스테릴석시네이트콜레스테롤헤미석신산염CHOLESTERYL HYDROGEN SUCCINATE

이름 더 보기

cholesterylsuccinateCholesterol SuccinateCholesteryl hemisucciteCHOLESTERYL HEMISUCCINATEMONO-CHOLESTERYL-SUCCINATECHOLESTEROL HYDROGEN SUCCINATE5-CHOLESTEN-3β-OL HEMISUCCINATECholesterol Hydrogen Succinate >5-CHOLESTEN-3-BETA-OL HEMISUCCINATE

데이터베이스 식별자

CAS: 1510-21-0
PubChem CID: 500055

물성

구조 계산 물성

XLogP: 8.5
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 10
무거운 원자 수: 35
형식 전하: 0
복잡도: 815

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 데이터

wgk: 3
HS 번호: 29171900
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

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

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

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