Basic information
- CAS
80115-95-3- Standard SMILES
CCCCCC=CCC=CC=CC=CC(SCC(NC(C)=O)C(=O)O)C(O)CCCC(=O)O- InChIKey
BGGYAYMMFYBWEX-UHFFFAOYSA-N- Molecular formula
- C25H39NO6S
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.24980914
Names & identifiers
- Preferred name
- N-acetyl Leukotriene E4
- IUPAC
- 6-(2-acetamido-2-carboxyethyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
- English name
- N-Acetyl leukotriene E4
- Molecular formula
- C25H39NO6S
- Molecular weight
- 481.65
Names & synonyms
N-acetyl Leukotriene E480115-95-36-(2-Acetamido-2-carboxyethyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acidorb1984917DTXSID801109007DB-056408(5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-(Acetylamino)-2-carboxyethyl]thio]-5-hydroxy-7,9,11,14-eicosatetraenoic acidN-AC-LTE4N-AcetylLTE4leukotriene E4, N-acetyl-5S-HYDROXY-6R-(S-(N-ACETYL)CYSTEINYL)-7E,9E,11Z,14Z-EICOSATETRAENOIC ACID(5S,6R,7E,9E,11Z,14Z)-5-Hydroxy-6-[[(R)-2-acetylamino-2-carboxyethyl]thio]-7,9,11,14-icosatetraenoic acid
Show more names
7,9,11,14-Eicosatetraenoic acid, 6-[[(2R)-2-(acetylamino)-2-carboxyethyl]thio]-5-hydroxy-, (5S,6R,7E,9E,11Z,14Z)-
Database identifiers
- CAS
80115-95-3- PubChem CID
- 4341
- DTXSID
DTXSID801109007
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 19
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 686
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- solubility
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS pH 7.2: 0.1 mg/ml
- form
- Liquid.
- Hazard Codes
- F,T
- Risk Statements
- 11 · 11
- Safety Statements
- 7 · 7-16-23-45
- RIDADR
- 1230 · UN 1230 3/PG 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- UN 1230 3/PG 2
- risk_code
- 11
- hazard_code
- F,T
- safety_code
- 7-16-23-45
Chemistry & industry
Applications
UsesN-acetyl LTE4 is the major inactive metabolite of LTE4 found in bile. This route of metabolism is prominent in the rat, but of minor importance in humans. N-acetyl LTE4 is 100 times less potent than LTC4 as a vasoconstricting agent. In healthy human subjects urinary excretion of N-acetyl LTE4 is about 1.5 nmol/mol creatinine, which is considerably less than that of LTE4 (12 nmol/mol creatinine).
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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