(-)-류코트리엔A4메틸에스테르

methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate

HCID 6478221CAS 73466-12-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCC/C=C\C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)OC
InChIKey
WTKAVFHPLJFCMZ-NIBLXIPLSA-N
분자식
C21H32O3
평균 분자량
332.5 g/mol
단동위원소 질량
332.23514488

이름 및 식별자

우선 이름
methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate
IUPAC
methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate
현지명
(-)-류코트리엔A4메틸에스테르
영어명
(-)-Leukotriene A4 methyl ester
분자식
C21H32O3
분자량
332.48

이름 및 동의어

73466-12-3LTA4-methyl estermethyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoateLTA4 (Leukotriene A4 methyl ester)(-)-LEUKOTRIENEA4METHYLESTER(-)-Leukotriene A4 methyl ester72345-92-7LTA4 methyl ester(+/-)-Leukotriene A4 methyl esterMFCD00065847orb1984949SCHEMBL29620680
이름 더 보기
(-)-류코트리엔A4메틸에스테르(-)-leukotriene A4LEUKOTRIENE A4 METHYL ESTERPWXYNAKNLZUYAL-WAQVJNLQSA-N5S-TRANS-5,6-OXIDO-7E,9E,11Z,14Z-EICOSATETRAENOIC ACID, METHYL ESTERLEUKOTRIENE A4-METHYLESTER SOLUTION (100UG/ML HEXANE/1% TRIETHYLAMINE)14,15-Leukotriene A4 methyl ester, Inhibitor of Leukotriene A4 hydrolaseLeukotriene A4 methyl ester, Leukotriene B3 and Leukotriene B4 precursor2-Oxiranebutanoic acid, 3-(1E,3E,5Z,8Z)-1,3,5,8-tetradecatetraen-1-yl-, methyl ester, (2S,3S)-
DTXSID10424293WTKAVFHPLJFCMZ-NIBLXIPLSA-NAKOS040755937FL165279HY-112621CS-0058562T37616SR-01000946885

데이터베이스 식별자

CAS
73466-12-3、72345-92-7
PubChem CID
6478221
DTXSID
DTXSID10424293
EC Number
633-240-5
Nikkaji
J524.709H

물성

구조 계산 물성

XLogP
5.6
극성 표면적
38.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
14
무거운 원자 수
24

물리화학적 성질

끓는 점
442.453 · 442.453±25.00 °C(Press: 760.00 Torr)(predicted)
밀도
0.998 · 0.998±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건
20 °C · −20°C
용해도
50 mg/ml; · Acetone: >50 mg/ml; DMF: >50 mg/ml; DMSO: >50 mg/ml; Ethanol: >50 mg/ml; PBS pH 7.2: insoluble and unstable.
물리적 상태
트리에틸아민:헥산 용액

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk
2
ridadr
UN 1208 3/PG 2
risk_code
11-36/37/38-48/20-51/53-62-65-67
hazard_code
F,Xn,N
safety_code
9-16-29-33-36/37-61-62
Hazard Classifications
Aquatic Chronic 2Asp. Tox. 1Eye Irrit. 2Flam. Liq. 2Repr. 2Skin Irrit. 2STOT RE 1 InhalationSTOT SE 3

화학 및 산업

응용 분야 · 2건

개요Leukotriene A4 (LTA4) is synthesized in mast cells, eosinophils, and neutrophils from arachidonic acid by 5-lipoxygenase (5-LO), which exhibits both lipoxygenase and LTA4 synthase activities. LTA4 is rapidly metabolized by LTA4 hydrolase or LTC4 synthase to LTB4 or LTC4, respectively. LTA4, from leukocytes, is known to undergo transcellular metabolism in platelets, erythrocytes, and endothelial cells. Further metabolism of LTA4 by 15-LO leads to lipoxin biosynthesis. LTA4 as a free acid is highly unstable. The methyl ester is stable and can be readily hydrolyzed to the free acid as needed.

용도LTA4 (Leukotriene A4 methyl ester) is an unstable intermediate in the biosynthesis of LTB4 and LTC4.

공급사10 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Aladdin Scientific[email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]

관련 반응

2건
반응 기록 만들기

연결된 노트

불러오는 중…