LY 170198
Basic information
- CAS
99682-33-4- Standard SMILES
CC(=O)c1ccc(OCCCOc2ccc(NC(=O)c3nn[nH]n3)cc2)c(C(C)C)c1O- InChIKey
VRFMQNMDEYQICU-UHFFFAOYSA-N- Molecular formula
- C22H25N5O5
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.18556891
Overview
SRS-A antagonist; structure given in first source
Names & identifiers
- Preferred name
- LY 170198
- IUPAC
- N-[4-[3-(4-acetyl-3-hydroxy-2-propan-2-ylphenoxy)propoxy]phenyl]-2H-tetrazole-5-carboxamide
- English name
- LY 170198
- Molecular formula
- C22H25N5O5
- Molecular weight
- 439.46
Names & synonyms
LY-170198RefChem:15447599682-33-4LY 170198N-[4-[3-(4-acetyl-3-hydroxy-2-propan-2-ylphenoxy)propoxy]phenyl]-2H-tetrazole-5-carboxamide1H-Tetrazole-5-carboxamide, N-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy)phenyl)-DTXSID50912548N-(4-{3-[4-Acetyl-3-hydroxy-2-(propan-2-yl)phenoxy]propoxy}phenyl)-2H-tetrazole-5-carboximidic acid2H-Tetrazole-5-carboxamide, N-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]-
Database identifiers
- CAS
99682-33-4- PubChem CID
- 127396
- DTXSID
DTXSID50912548
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 614
Physicochemical properties
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- pka
- 2.91 · 2.91±0.10(Predicted)
Chemistry & industry
Applications
DescriptionLY 170198 is an inhibitor of protein kinase C.
UsesLY 170198 is a protein kinase C inhibitor and a LTD4 antagonist. LY 170198 is promising for research of tumor promotion, oncogene activation, protein phosphorylation, feedback mechanisms in signal transduction and cellular responses to growth factors[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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