(-)-류코트리엔A4메틸에스테르
(-)-류코트리엔A4메틸에스테르 · (-)-leukotriene A4 · LEUKOTRIENE A4 METHYL ESTER · PWXYNAKNLZUYAL-WAQVJNLQSA-N · (-)-Leukotriene A4 methyl ester · LTA4 (Leukotriene A4 methyl ester) · 5S-TRANS-5,6-OXIDO-7E,9E,11Z,14Z-EICOSATETRAENOIC ACID, METHYL ESTER · LEUKOTRIENE A4-METHYLESTER SOLUTION (100UG/ML HEXANE/1% TRIETHYLAMINE)
식별자 및 물리적 특성
| CAS No. | 73466-12-3 |
|---|---|
| 분자식 | C21H32O3 |
| 평균 분자량 | 332.5 g/mol |
| 단동위원소 질량 | 332.23514488 g/mol |
| SMILES | CCCCC/C=C\C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)OC |
| InChIKey | WTKAVFHPLJFCMZ-NIBLXIPLSA-N |
| PubChem CID | 6478221 |
| EC No. | 633-240-5 |
| DTXSID | DTXSID10424293 |
| 현지명 | (-)-류코트리엔A4메틸에스테르 |
화학 및 물리적 성질
| XLogP | 5.6 |
|---|---|
| 극성 표면적 | 38.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 14 |
| 무거운 원자 수 | 24 |
| 형식 전하 | 0 |
| 복잡도 | 446 |
| 끓는 점 | 442.453±25.00 °C(Press: 760.00 Torr)(predicted) |
| 밀도 | 0.998±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| 저장 조건 | −20°C |
| 용해도 | Acetone: >50 mg/mlDMF: >50 mg/mlDMSO: >50 mg/mlEthanol: >50 mg/mlPBS pH 7.2: insoluble and unstable. |
| 물리적 상태 | 트리에틸아민:헥산 용액 |
안전 및 규제
| GHS 분류 | DangerH225 (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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| 수질 위해 등급(WGK) | 2 |
| 운송 번호(UN) | UN 1208 3/PG 2 |
| 위험 문구(R) | 11-36/37/38-48/20-51/53-62-65-67 |
| 위험 표시 | F,Xn,N |
| 안전 문구(S) | 9-16-29-33-36/37-61-62 |
| 위험 등급 | Aquatic Chronic 2Asp. Tox. 1Eye Irrit. 2Flam. Liq. 2Repr. 2Skin Irrit. 2STOT RE 1 InhalationSTOT SE 3 |
| 저장 분류 | 3 - Flammable liquids |
용도
개요
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.
용도
LTA4 (Leukotriene A4 methyl ester) is an unstable intermediate in the biosynthesis of LTB4 and LTC4.