Basic information
- CAS
104777-03-9- Standard SMILES
CCOCCOC(=O)C(=O)Nc1nc(-c2cc(C)no2)cs1- InChIKey
IKYTUOHXXXPNOG-UHFFFAOYSA-N- Molecular formula
- C13H15N3O5S
- Average molar mass
- 325.34 g/mol
- Monoisotopic mass
- 325.07324176
Overview
Asobamast is a small molecule drug. Asobamast has a monoisotopic molecular weight of 325.07 Da.
Names & identifiers
- Preferred name
- 2-Ethoxyethyl N-(4-(3-methyl-5-isoxazolyl)-2-thiazolyl)oxamate
- IUPAC
- 2-ethoxyethyl 2-[[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
- English name
- 2-ethoxyethyl N-(4-(3-methyl-5-isoxazolyl)-2-thiazolyl)oxamate
- Molecular formula
- C13H15N3O5S
- Molecular weight
- 325.34
Names & synonyms
2-EMITO2-Ethoxyethyl N-(4-(3-methyl-5-isoxazolyl)-2-thiazolyl)oxamateRefChem:114599Asobamast104777-03-92-ethoxyethyl 2-[[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetateF0R68O7C4V2-Ethoxyethyl (4-(3-methyl-5-isoxazolyl)-2-thiazolyl)oxamateAsobamastumAsobamastum [INN-Latin]Asobamast [INN:BAN]UNII-F0R68O7C4V
Show more names
Acetic acid, 2-[[4-(3-methyl-5-isoxazolyl)-2-thiazolyl]amino]-2-oxo-, 2-ethoxyethyl ester
Acetic acid,2-[[4-(3-methyl-5-isoxazolyl)-2-thiazolyl]amino]-2-oxo-, 2-ethoxyethyl esterASOBAMAST [INN]CHEMBL155674orb1698318SCHEMBL2111159DTXSID20869434AKOS040750595DA-69779
Database identifiers
- CAS
104777-03-9- PubChem CID
- 72033
- DTXSID
DTXSID20869434- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- FDA UNII
- 0 R68O7C4V · F0R68O7C4V
Chemistry & industry
Applications
UsesAsobamast is a potent, orally active antiallergic agent that inhibits ige mediated passive pulmonary allergic responses in rats (ED50=4.7 mg/kg) and inhibits antigen-induced mediator release from sensitized guinea pig lung fragments[1].
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海德轩医药科技有限公司[email protected] · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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