YM 17690
Basic information
- CAS
108806-41-3- Standard SMILES
O=C(O)CCc1ccc(OCC(=O)O)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1- InChIKey
UXHPYKYCGVQOFX-UHFFFAOYSA-N- Molecular formula
- C28H29NO7
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.19440226
Overview
structure in first source
Names & identifiers
- Preferred name
- YM 17690
- IUPAC
- 3-[4-(carboxymethoxy)-3-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]propanoic acid
- English name
- YM 17690
- Molecular formula
- C28H29NO7
- Molecular weight
- 491.53
Names & synonyms
108806-41-3YM-17690YM 17690BW44EA7XX4DTXSID50148749Benzenepropanoic acid, 4-(carboxymethoxy)-3-((4-(4-phenylbutoxy)benzoyl)amino)-RefChem:195665DTXCID10712403-(4-Carboxymethoxy-3-(4-(4-phenylbutoxy)benzamido)phenyl)propionic acid3-[4-(carboxymethoxy)-3-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]propanoic acidYM176903-(4-(carboxymethoxy)-3-(4-(4-phenylbutoxy)benzamido)phenyl)propanoic acid
Show more names
CS-22404-(Carboxymethoxy)-3-[[4-(4-phenylbutoxy)benzoyl]amino]benzenepropanoic acidBenzenepropanoic acid, 4-(carboxymethoxy)-3-[[4-(4-phenylbutoxy)benzoyl]amino]-
3-{4-(Carboxymethoxy)-3-[4-(4-phenylbutoxy)benzamido]phenyl}propanoic acidUNII-BW44EA7XX4orb1698952GLXC-10079EX-A2410AKOS040749811AC-36060HY-100724
Database identifiers
- CAS
108806-41-3- PubChem CID
- 130968
- DTXSID
DTXSID50148749- UNII
- BW44EA7XX4
- Nikkaji
- J248.011E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 685
Physicochemical properties
- FDA UNII
- 44 EA7XX4 · BW44EA7XX4
Chemistry & industry
Applications
UsesYM-17690 is a LTD4 and LTE4 agonist, with a pKi value of 9.28 for [3H]LTD4. It induces dose-dependent contractions in guinea pig ileum, lung parenchyma, and trachea, with EC50 values of 16, 3.9, and 22 nM, respectively. YM-17690 can be used in research related to asthma and inflammation[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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