Basic information
- CAS
81047-99-6- Standard SMILES
CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12- InChIKey
UMQUQWCJKFOUGV-UHFFFAOYSA-N- Molecular formula
- C14H21N3O3
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.15829154
Overview
CGP 12177 is a benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group. It has a role as a beta-adrenergic antagonist. It is a member of benzimidazoles, an aromatic ether, a secondary alcohol and a secondary amino compound.
Names & identifiers
- Preferred name
- 4-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro-2H-benzimidazol-2-one
- IUPAC
- 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
- English name
- (+/-)-CGP-12177 hydrochloride
- Molecular formula
- C14H21N3O3
- Molecular weight
- 279.33
Names & synonyms
Cgp 12177Tbhpbo81047-99-64-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-oneR89UMZ82MJCHEBI:73288CGP-12177A2H-Benzimidazol-2-one, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro-4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one4-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)-1,3-DIHYDROBENZIMIDAZOL-2-ONE2H-Benzimidazol-2-one, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-4-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro-2H-benzimidazol-2-one
Show more names
CGP12177HClS(-)-CGP-12177TOC CGP 12177(S)-(-)-CGP-12177CGP 12177 hydochlorideCGP 12177 HYDROCHLORIDE(+/-)-CGP-12177 hydrochloride
4-(3-(tert-butylamino)-2-hydroxypropoxy)-1,3-dihydro-2H-benzimidazol-2-one4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2h-benzimidazol-2-oneRefChem:9121122H-Benzimidazol-2-one, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-Cgp-12177Cgp 12177A4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one[3H]CGP 12177
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 256 °C · >256°C (dec.)
- Boiling point
- 376.3 · 376.3±37.0 °C(Predicted)
- Density
- 1.179 · 1.179
- storage temp.
- Store at RT
- solubility
- 10 mg/mL · DMSO: >10 mg/mL
- form
- solid
- pka
- 11.48 · 11.48±0.30(Predicted)
- color
- white
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 89 UMZ82MJ · R89UMZ82MJ
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that selectively bind to and activate beta-adrenergic receptors.
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 12177 Hydrochloride is a selective β3-adrenoceptor agonist.
Suppliers8 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
重庆卡兰医药有限公司[email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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