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

HCID 6478221CAS 73466-12-3
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCCCC/C=C\C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)OC
InChIKey
WTKAVFHPLJFCMZ-NIBLXIPLSA-N
Summenformel
C21H32O3
Durchschnittliche Molmasse
332,5 g/mol
Monoisotopische Masse
332,23514488

Namen und Bezeichner

Bevorzugter Name
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
Englischer Name
(-)-Leukotriene A4 methyl ester
Summenformel
C21H32O3
Molmasse
332.48

Namen und Synonyme

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
Weitere Namen anzeigen
(-)-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,6
Polarare Oberfläche (TPSA)
38,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
14
Schwere Atome
24

Physikochemische Eigenschaften

Siedepunkt
442.453 · 442.453±25.00 °C(Press: 760.00 Torr)(predicted)
Dichte
0.998 · 0.998±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
20 °C · −20°C
Löslichkeit
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.
Aggregatzustand
triethylamine:hexane solution

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

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
Speicherklasse
3 - Flammable liquids

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungLeukotriene 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.

VerwendenLTA4 (Leukotriene A4 methyl ester) is an unstable intermediate in the biosynthesis of LTB4 and LTC4.

Anbieter10 Anbieter

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]

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