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Emapunil

CAS No.:
226954-04-7
Catalog Number:
AG00BEB8
Molecular Formula:
C23H23N5O2
Molecular Weight:
401.4610
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$94
- +
5mg
≥98%
1 week
United States
$179
- +
10mg
≥98%
1 week
United States
$264
- +
50mg
99%
1 week
United States
$1057
- +
100mg
99%
1 week
United States
$1723
- +
Product Description
Catalog Number:
AG00BEB8
Chemical Name:
Emapunil
CAS Number:
226954-04-7
Molecular Formula:
C23H23N5O2
Molecular Weight:
401.4610
MDL Number:
MFCD07772312
IUPAC Name:
N-benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)acetamide
InChI:
InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3
InChI Key:
NBMBIEOUVBHEBM-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Cn1c2nc(ncc2n(c1=O)C)c1ccccc1)Cc1ccccc1
UNII:
OG837L732J
Properties
Complexity:
602  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.185g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.47g/mol
Monoisotopic Mass:
401.185g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Translocator protein (18 kDa) (TSPO) as a therapeutic target for anxiety and neurologic disorders. European archives of psychiatry and clinical neuroscience 20121101
Translocator protein as a promising target for novel anxiolytics. Current topics in medicinal chemistry 20120101
Synthesis and structure-activity relationship studies in translocator protein ligands based on a pyrazolo[3,4-b]quinoline scaffold. Journal of medicinal chemistry 20111027
Synthesis and evaluation of novel carbon-11 labeled oxopurine analogues for positron emission tomography imaging of translocator protein (18 kDa) in peripheral organs. Journal of medicinal chemistry 20110908
In vivo positron emission tomographic imaging of glial responses to amyloid-beta and tau pathologies in mouse models of Alzheimer's disease and related disorders. The Journal of neuroscience : the official journal of the Society for Neuroscience 20110323
Variation in binding affinity of the novel anxiolytic XBD173 for the 18 kDa translocator protein in human brain. Synapse (New York, N.Y.) 20110301
Imaging of peripheral-type benzodiazepine receptor in tumor: carbon ion irradiation reduced the uptake of a positron emission tomography ligand [11C]DAC in tumor. Journal of radiation research 20100101
Ultrafast LC method for purification and metabolite analysis of PET probes. Nuclear medicine and biology 20100101
Evaluation of N-benzyl-N-[11C]methyl-2- (7-methyl-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl)acetamide ([11C]DAC) as a novel translocator protein (18 kDa) radioligand in kainic acid-lesioned rat. Synapse (New York, N.Y.) 20091101
Lack of tolerance to anxiolysis and withdrawal symptoms in mice repeatedly treated with AC-5216, a selective TSPO ligand. Progress in neuro-psychopharmacology & biological psychiatry 20090831
Translocator protein (18 kD) as target for anxiolytics without benzodiazepine-like side effects. Science (New York, N.Y.) 20090724
Quantitative analysis of peripheral benzodiazepine receptor in the human brain using PET with (11)C-AC-5216. Journal of nuclear medicine : official publication, Society of Nuclear Medicine 20090701
[18F]FEAC and [18F]FEDAC: Two novel positron emission tomography ligands for peripheral-type benzodiazepine receptor in the brain. Bioorganic & medicinal chemistry letters 20090315
Involvement of neurosteroids in the anxiolytic-like effects of AC-5216 in mice. Pharmacology, biochemistry, and behavior 20080401
In vitro and ex vivo autoradiography studies on peripheral-type benzodiazepine receptor binding using [11C]AC-5216 in normal and kainic acid-lesioned rats. Neuroscience letters 20071127
11C-AC-5216: a novel PET ligand for peripheral benzodiazepine receptors in the primate brain. Journal of nuclear medicine : official publication, Society of Nuclear Medicine 20071101
Blood flow dependence of the intratumoral distribution of peripheral benzodiazepine receptor binding in intact mouse fibrosarcoma. Nuclear medicine and biology 20061101
Antianxiety and antidepressant-like effects of AC-5216, a novel mitochondrial benzodiazepine receptor ligand. British journal of pharmacology 20040801
The pyruvate-dehydrogenase complex from Azotobacter vinelandii. 2. Regulation of the activity. European journal of biochemistry 19751115
Properties