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Emapunil

CAT: 0804-HY-15527-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15527-07Size:100 mg
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Description
Emapunil (AC-5216), an orally active and selective TSPO (a mitochondrial benzodiazepine receptor) ligand, produces anti-anxiety and antidepressant-like effects in various animal models[1][2].
CAS Number
226954-04-7
Product Name Alternative
AC-5216; XBD-173
UNSPSC
12352005
Hazard Statement
H302
Target
Antibiotic
Type
Reference compound
Related Pathways
Anti-infection
Applications
Neuroscience-Neuromodulation
Field of Research
Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Emapunil.html
Purity
99.94
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
O=C(N(CC)CC1=CC=CC=C1)CN2C(N(C)C3=CN=C(C4=CC=CC=C4)N=C23)=O
Molecular Formula
C23H23N5O2
Molecular Weight
401.46
Precautions
H302
References & Citations
[4]Zhi-Kun Qiu, et al. The antidepressant-like activity of AC-5216, a ligand for 18KDa translocator protein (TSPO), in an animal model of diabetes mellitus. Sci Rep. 2016 Nov 25;6:37345.|[1]Atsuko Kita, et al. Antianxiety and antidepressant-like effects of AC-5216, a novel mitochondrial benzodiazepine receptor ligand. Br J Pharmacol. 2004 Aug;142 (7) :1059-72.|[2]Marcus Karlstetter, et al. Translocator protein (18 kDa) (TSPO) is expressed in reactive retinal microglia and modulates microglial inflammation and phagocytosis. J Neuroinflammation. 2014 Jan 8;11:3.|[3]Li-Ming Zhang, et al. Involvement of allopregnanolone in the anti-PTSD-like effects of AC-5216. J Psychopharmacol. 2016 May;30 (5) :474-81.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Emapunil

Emapunil is an organic molecular entity. It has a role as an anxiolytic drug.

CAS Number226954-04-7
PubChem CID6433109
IUPAC NameN-benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)acetamide
Molecular FormulaC23H23N5O2
Molecular Weight401.5
XLogP2.6
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity602
SMILES
CCN(CC1=CC=CC=C1)C(=O)CN2C3=NC(=NC=C3N(C2=O)C)C4=CC=CC=C4
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
InChIKey
NBMBIEOUVBHEBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Emapunil
CAS: 226954-04-7
CID: 6433109
Formula: C23H23N5O2
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass401.18517499
Monoisotopic Mass401.18517499
Topological Polar Surface Area69.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity602
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP11597-01Emapunil
C08700-5mgEmapunil (AC 5216)
MBS387635-01AC-5216 (Emapunil)
A13138-200AC-5216 (Emapunil) 200mg
A13138-5AC-5216 (Emapunil) 5mg
A13138-1AC-5216 (Emapunil) 1mg
A13138-100AC-5216 (Emapunil) 100mg
228028Emapunil (AC-5216, XBD-173)
A13138-10mM-DAC-5216 (Emapunil) 10mM * 1mL in DMSO

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