1,2-디올레오일-SN-글리세로-3-포스포에탄올아민

1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine

HCID 9546757

기본 정보

CAS: 4004-05-1
표준 SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIKey: MWRBNPKJOOWZPW-NYVOMTAGSA-N
분자식: C41H78NO8P
평균 분자량: 744 g/mol
단동위원소 질량: 743.54650509

개요

1,2-di-[(9Z)-octadecenoyl]-sn-glycero-3-phosphoethanolamine is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (9Z)-octadecenoyl respectively. It has a role as a mouse metabolite. It is functionally related to an oleic acid.

이름 및 식별자

우선 이름: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine
IUPAC: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
현지명: 1,2-디올레오일-SN-글리세로-3-포스포에탄올아민
영어명: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine
분자식: C41H78NO8P
분자량: 744.05

이름 및 동의어

1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine4004-05-1DOPE, l-PE(18:1(9Z)/18:1(9Z))JNP6V6AI0UDOPE, R-1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamineDTXSID601029609RefChem:9067451-2-DOPEDTXCID9017759541-2-di-(9-octadecenoyl)-sn-glycero-3-phosphoethethanolamine

이름 더 보기

1,2-디올레오일-SN-글리세로-3-포스포에탄올아민1,2-Di(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine1,2-Dioleoyl-sn-glycero-3-PEDIOLEOYL PHOSPHATIDYL ETHANOLAMINE(Z)-(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dioleate18:1 PEDOPE (18:1 PE)DOPE, 10 mM in DMSOCOATSOME ME-8181 (DOPE)

(2-aminoethoxy)((2R)-2,3-bis((9Z)-octadec-9-enoyloxy)propoxy)phosphinic acidDOPEDOPE (Excipient)PE(18:1/18:1)1,2-Dioleoyl-sn-glGPEtn(18:1w9/18:1w9)SCHEMBL25038GPEtn(18:1/18:1)

데이터베이스 식별자

CAS: 4004-05-1
PubChem CID: 9546757
DTXSID: DTXSID601029609
ChEBI: CHEBI:84839
UNII: JNP6V6AI0U
Nikkaji: J67.971B

물성

구조 계산 물성

XLogP: 10.6
극성 표면적: 134 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 9
회전 가능 결합 수: 41
무거운 원자 수: 51
형식 전하: 0
복잡도: 897

실험 및 물리화학적 성질

Lipids · 2건

Lipids -> Unambiguous Lipids

Lipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Diacylglycerophosphoethanolamines [GP0201]

Physical DescriptionSolid

Collision Cross Section · 2건

270.5 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]

278.8 Å² [M+H]+

물리화학적 성질

녹는점: 200 °C · 200°C(lit.)
끓는 점: 759.2 · 759.2±70.0 °C(Predicted)
밀도: 1.008 · 1.008±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: 31.25 mg/mL · DMSO: 31.25 mg/mL (42.00 mM)
산도 계수 (pKa): 1.17 · 1.17±0.50(Predicted)
물리적 상태: 동결건조된 분말
색상: 흰색에서 밝은 노란색
생물학적 소스: synthetic
BRN: 1718431 · 1718431
InChIKey: MWRBNPKJOOWZPW-XFBMKQTANA-N
SMILES: [C@H](COP(O)(=O)OCCN)(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC |&1:0,r|

화학적 성질

Yellowish wax

안전 및 규제

안전 데이터

wgk: 3
ridadr: UN 1888 6.1/PG 3
HS 번호: 29232000
risk_code: 22-38-40-48/20/22-67-36/38-20-63
hazard_code: Xn
safety_code: 36/37-26
F 고인화성물질: 8-10-23
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsAll Tissues

Cellular LocationsExtracellular

Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(18:1(9Z)/18:1(9Z))

응용 분야 · 3건

개요1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE) is a neutral phospholipid and displays sensitivity towards pH change and has been used in the preparation of liposome and giant unilamellar vesicles (GUVs).Phosphatidylethanolamine (PE) is formed primarily in the reaction of CDP-ethanolamine and diacylglycerol. PE is one of the major components of cell membranes in bacteria and in nervous system.

용도1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE) forms heterogenous liposomes with N-[1-(2,3-dioleoyloxy)propyl]-N,N,N-trimethylammonium methylsulfate (DOTAP), which are used as delivery vehicles for therapeutic agents.

일반 설명1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (18:1 (Δ9-Cis) PE (DOPE)) is a neutral phospholipid and displays sensitivity towards pH change. At acidic it is an inverted hexagonal micelle and transforms to spherical micelle at alkaline pH.

상·하류 제품 정보

상류 원료

9-Octadecenoic acid (9Z)-, (1S)-1-[[(3,4-dimethoxyphenyl)methoxy]ethyl]-1,2-ethanediyl ester (9CI)

공급사100 곳

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

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

추가 설명

정의ChEBI: Dioleoyl phosphatidylethanolamine is a phosphatidylethanolamine in which the phosphatidyl acyl groups are both oleoyl.

화합물 노트

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