기본 정보
- CAS
895127-66-9- 표준 SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CC1OC1C/C=C\CCC(=O)O- InChIKey
OHYKIJBTVXMLKX-MPQBXPHNSA-N- 분자식
- C22H32O3
- 평균 분자량
- 344.5 g/mol
- 단동위원소 질량
- 344.23514488
개요
7(8)-EpDPE is a medium-chain fatty acid.
이름 및 식별자
- 우선 이름
- 7(8)-EpDPE
- IUPAC
- (Z)-6-[3-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]oxiran-2-yl]hex-4-enoic acid
- 영어명
- (±)7(8)-EpDPA
- 분자식
- C22H32O3
- 분자량
- 344.49
이름 및 동의어
7(8)-EpDPERefChem:105422(+-)-7(8)-epoxy-4Z,10Z,13Z,16Z,19Z-docosapentaenoic acid( inverted exclamation markA)7(8)-EpDPA(+/-)-7(8)-epoxy-4Z,10Z,13Z,16Z,19Z-docosapentaenoic acidorb1985146SCHEMBL3408523CHEBI:165253(??)7(8)-EpDPALMFA04000034AKOS040754663(Z)-6-[3-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]oxiran-2-yl]hex-4-enoic Acid
이름 더 보기
(±)7(8)-EpDPA7(8)-Epoxy-DPA7(8)-Epoxy-Docosapentaenoic acid()7(8)-EpDPA(solution in ethanol)4-Hexenoic acid, 6-[3-(2Z,5Z,8Z,11Z)-2,5,8,11-tetradecatetraen-1-yl-2-oxiranyl]-, (4Z)-(4Z)-6-[3-(2(Z),5(Z),8(Z),11Z)-2,5,8,11-tetradecatetraen-1-yl-2-oxiranyl]-4-hexenoic acid
HY-130550CS-0109072T35497(+/-)7(8)-EpDPA; (+/-)7,8-epoxy DPA(Z)-6-(3-((2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraen-1-yl)oxiran-2-yl)hex-4-enoic acid
데이터베이스 식별자
- CAS
895127-66-9
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 497
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Docosanoids [FA04] -> Other Docosanoids [FA0400]
Collision Cross Section188.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
물리화학적 성질
- 끓는 점
- 486.9 · 486.9±40.0 °C(Predicted)
- 밀도
- 0.994 · 0.994±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS (pH 7.2): 1 mg/ml
- 산도 계수 (pKa)
- 4.58 · 4.58±0.10(Predicted)
화학 및 산업
응용 분야
용도Docosahexaenoic acid (DHA, ) is the most abundant ω-3 fatty acid in neural tissues, especially in the brain and retina. (±)7(8)-EpDPA is an epoxide derivative of DHA that is generated by the action of cytochrome P450 epoxygenases. It is naturally occurring in plasma and brain and spinal cord tissues and is increased following dietary supplementation with ω-3 fatty acids. (±)7(8)-EpDPA and other epoxy metabolites of DHA modulate receptor and channel activities to evoke diverse effects, such as promoting vasodilation, inhibiting angiogenesis, and decreasing inflammatory and neuropathic pain. (±)7(8)-EpDPA is a substrate of soluble epoxide hydrolase (KM = 15 μM), which converts it to the corresponding diol.[Cayman Chemical]
공급사10 곳
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
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