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Home > Imidazoles > 1005491-05-3
1005491-05-3 | 1-(1-Ethylpropyl)-6-ethynyl-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one
CAS No: 1005491-05-3 Catalog No: AG003AUE MDL No:MFCD28023588
Product Description
Catalog Number:
AG003AUE
Chemical Name:
1-(1-Ethylpropyl)-6-ethynyl-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one
CAS Number:
1005491-05-3
Molecular Formula:
C12H14N4O
Molecular Weight:
230.2658
MDL Number:
MFCD28023588
IUPAC Name:
5-ethynyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
InChI:
InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17)
InChI Key:
RSQGZEAXODVTOL-UHFFFAOYSA-N
SMILES:
CCC(n1c(=O)[nH]c2c1nc(C#C)cn2)CC
UNII:
G8WSM7R635
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.271g/mol
Monoisotopic Mass:
230.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Tirasemtiv amplifies skeletal muscle response to nerve activation in humans. | Muscle & nerve 20141201 |
| Effect of tirasemtiv, a selective activator of the fast skeletal muscle troponin complex, in patients with peripheral artery disease. | Vascular medicine (London, England) 20140801 |
| A study to evaluate safety and tolerability of repeated doses of tirasemtiv in patients with amyotrophic lateral sclerosis. | Amyotrophic lateral sclerosis & frontotemporal degeneration 20131201 |
| Safety, tolerability and pharmacodynamics of a skeletal muscle activator in amyotrophic lateral sclerosis. | Amyotrophic lateral sclerosis : official publication of the World Federation of Neurology Research Group on Motor Neuron Diseases 20120901 |
| Amyotrophic lateral sclerosis: drug therapy from the bench to the bedside. | Seminars in neurology 20120701 |
| Activation of fast skeletal muscle troponin as a potential therapeutic approach for treating neuromuscular diseases. | Nature medicine 20120301 |
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