Basic information
- CAS
137888-49-4- Standard SMILES
Cn1cc(C(F)(F)F)nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1- InChIKey
GKJZEKSHCJELPL-UHFFFAOYSA-N- Molecular formula
- C23H25F3N4O5
- Average molar mass
- 494.5 g/mol
Overview
2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-2-imidazolyl]phenoxy]propyl]amino]ethoxy]benzamide is a member of imidazoles.
Names & identifiers
- Preferred name
- Cgp-20712
- IUPAC
- 2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide
- English name
- 2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide
- Molecular formula
- C23H25F3N4O5
- Molecular weight
- 494.46
Names & synonyms
CGP-20712137888-49-4Cgp 20712SIO2UEZ19HRefChem:918314CGP-20712ACGP20712ACGP 20712-AUNII-SIO2UEZ19H81015-67-0SR-010000762081-[2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-[4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)-phenoxy]-2-propanol
Show more names
2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamideBenzamide, 2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]amino]ethoxy]-
1-[2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]-phenoxy]-2-propanolcid_2685Lopac0_000364GTPL541CHEMBL280822orb1697871SCHEMBL10914264SCHEMBL29709203
Database identifiers
- CAS
137888-49-4、81015-67-0- PubChem CID
- 2685
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 666
Physicochemical properties
- Boiling point
- 736 · 736.0±70.0 °C(Predicted)
- Density
- 1.4 · 1.40
- pka
- 8.72 · 8.72±0.20(Predicted)
- FDA UNII
- 2 UEZ19H · SIO2UEZ19H
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety.
Applications
UsesCGP 20712 is a highly selective β1-adrenoceptor antagonist (Ki=0.3 nmol/L). CGP 20712’s primary mechanism of action is through competitively binding to β1-receptors, thereby blocking the positive chronotropic effects of adrenaline and noradrenaline[1].
Suppliers9 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
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]
重庆卡兰医药有限公司[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]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
6 records
Compound notes
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