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기본 정보
- CAS
64907-22-8- 표준 SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
BQMSKLCEWBSPPY-IKVTXIKFSA-N- 분자식
- C27H46O3
- 평균 분자량
- 418.7 g/mol
- 단동위원소 질량
- 418.34469533
개요
7alpha,25-dihydroxycholesterol is a 3beta-hydroxy-Delta(5)-steroid, a 7alpha-hydroxy steroid, a 25-hydroxy steroid and an oxysterol. It has a role as a human metabolite. It is functionally related to a cholesterol.
이름 및 식별자
- 우선 이름
- 7alpha,25-Dihydroxycholesterol
- IUPAC
- (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
- 현지명
- 7α,25-dihydroxy Cholesterol
- 영어명
- 7α,25-dihydroxy Cholesterol
- 분자식
- C27H46O3
- 분자량
- 418.65
이름 및 동의어
7alpha,25-Dihydroxycholesterol64907-22-87alpha,25-OHCCholest-5-ene-3beta,7alpha,25-triol7|A,25-dihydroxycholesterol7-alpha,25-Dihydroxycholesterol5-Cholesten-3beta,7alpha,25-triolCHEMBL4788348cholest-5-en-3beta,7alpha,25-triol3beta,7alpha,25-Trihydroxycholest-5-ene(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol3?,7?,25-Trihydroxycholest-5-ene
이름 더 보기
7α,25-dihydroxy Cholesterol7-알파,25-디하이드록시콜레스테롤7Α7α,25-OHCCholesterol Impurity 3325-dihydroxycholesterol5-Cholesten-3β,7α,25-triol7±,25-Dihydroxycholesterol7α,25-dihydroxy Cholesterol3β,7α,25-Trihydroxycholest-5-ene(3β,7α)-Cholest-5-ene-3,7,25-triol
7alpha-25-OHC7alpha,25-Dihydroxyxcholesterol7| cent,25-OHC7-a,25-Dihydroxycholesterol7?,25-DihydroxyxcholesterolGTPL4350orb1219703orb1707743
물성
구조 계산 물성보충 중
- XLogP
- 5.7
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 669
실험 및 물리화학적 성질
LipidsLipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C27 bile acids, alcohols, and derivatives [ST0403]
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 235 · 235-236 °C
- 끓는 점
- 548.5 · 548.5±35.0 °C(Predicted)
- 밀도
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 5 mg/mL · DMSO: 가용성5mg/mL(투명 용액)
- 산도 계수 (pKa)
- 14.11 · 14.11±0.70(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 베이지색
- InChIKey
- BQMSKLCEWBSPPY-IKVTXIKFSA-N
- SMILES
- C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
Metabolite Pathways27-Hydroxylase Deficiency
응용 분야
용도GPR183 (also known as Epstein-Barr virus-induced gene 2) is an orphan G protein-coupled receptor (GPCR) that is highly expressed in spleen and is required for humoral immune responses, including B cell migration and T cell-dependent antibody production. 7α,25-dihydroxy Cholesterol (7α,25-DHC) is a potent agonist of GPR183 that induces specific activation of the receptor with an EC50 value of 50 nM (Kd = 450 pM). At concentrations below 3 μM, it does not show any appreciable binding activity when tested against eight different nuclear hormone receptors including LXR and thirty-one different G protein-coupled receptors in a panel of reporter gene assays. 7α,25-DHC can act as a potent chemokine, affecting migration of immune cells expressing GPR183 both in vitro (EC50 = 500 pM) and in vivo.[Cayman Chemical]
일반 설명7α,25-dihydroxycholesterol (7α,25-OHC) is synthesized by the hydroxylation of cholesterol by the action of enzyme cholesterol 25-hydroxylase (CH25H) and cytochrome P450, family 7, subfamily b, polypeptide 1 (CYP7B1). The catabolic breakdown of 7α,25-OHC to bile acid precursors is catalyzed by the enzymes hydroxy-Δ-5-steroid dehydrogenase, 3β- and steroid Δ-isomerase 7 (HSD3B7).
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