Basic information
- CAS
40077-13-2- Standard SMILES
O=C1c2ccccc2CCC1CNCCc1ccc(O)cc1- InChIKey
PZZOEXPDTYIBPI-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Overview
2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one is a member of tetralins.
Names & identifiers
- Preferred name
- BE 2254
- IUPAC
- 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one
- English name
- BE 2254
- Molecular formula
- C19H21NO2
- Molecular weight
- 295.38
Names & synonyms
40077-13-2BE 2254BE-22542-Heat1(2H)-Naphthalenone, 3,4-dihydro-2-(((2-(4-hydroxyphenyl)ethyl)amino)methyl)-RefChem:1168012-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-oneHEAT2-(beta-(4-Hydroxyphenyl)ethylaminomethyl)tetralone2-(((2-(4-Hydroxyphenyl)ethyl)amino)methyl)-3,4-dihydro-1(2H)-naphthalenoneBE22542-(((4-Hydroxyphenethyl)amino)methyl)-3,4-dihydronaphthalen-1(2H)-one
Show more names
3,4-Dihydro-2-[[2-(4-hydroxyphenyl)ethyl]aminomethyl]naphthalen-1(2H)-one1(2H)-Naphthalenone, 3,4-dihydro-2-[[[2-(4-hydroxyphenyl)ethyl]amino]methyl]-
2-[beta-(4-hydroxyphenyl)ethylaminomethyl]tetraloneorb1701089SCHEMBL6413372CHEMBL1515808SCHEMBL29351105BDBM81809CHEBI:91598DTXSID00960534
Database identifiers
- CAS
40077-13-2- PubChem CID
- 34772
- DTXSID
DTXSID00960534- ChEMBL
CHEMBL1515808- ChEBI
CHEBI:91598- Nikkaji
- J22.699H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 492.8 · 492.8±25.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- 10.15 · 10.15±0.15(Predicted)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Applications
DescriptionBE 2254 is an adrenergic agent and antagonist of central noradrenergic receptor stimulation.
UsesBE2254 is a compound with antipyretic and metabolic activity, which has the activity of regulating the febrile response and metabolism. BE2254 can reduce the metabolic and febrile activity induced by lipopolysaccharide in febrile rabbits, suggesting that it may regulate body temperature by acting on the α1-adrenergic receptor mechanism.
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Additional notes
DefinitionChEBI: 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one is a member of tetralins.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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