ロイコトリエンA4-メチルエステル溶液 (100ΜG/ML ヘキサン/1%トリエチルアミン)

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

HCID 6478221CAS 73466-12-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCC/C=C\C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)OC
InChIKey: WTKAVFHPLJFCMZ-NIBLXIPLSA-N
分子式: C21H32O3
平均分子量: 332.5 g/mol
単同位体質量: 332.23514488

名称と識別子

優先名称: 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
現地名: ロイコトリエンA4-メチルエステル溶液 (100ΜG/ML ヘキサン/1%トリエチルアミン)
英語名: (-)-Leukotriene A4 methyl ester
分子式: C21H32O3
分子量: 332.48

名称と別名

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

名称をさらに表示

ロイコトリエンA4-メチルエステル溶液 (100ΜG/ML ヘキサン/1%トリエチルアミン)(-)-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

データベース識別子

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

物性

構造計算による物性

XLogP: 5.6
極性表面積: 38.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 14
重原子数: 24
形式電荷: 0
複雑度: 446

物理化学的性質

沸点: 442.453 · 442.453±25.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 0.998 · 0.998±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
貯蔵温度: 20 °C · −20°C
溶解性: 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.
外見: トリエチルアミン:ヘキサン溶液

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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

安全データ

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
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

説明Leukotriene 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.

使用LTA4 (Leukotriene A4 methyl ester) is an unstable intermediate in the biosynthesis of LTB4 and LTC4.

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