Emapunil | AC-5216 | AC5216 | CAS#226954-04-7 | MBR ligand

Emapunil
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 530339

CAS#: 226954-04-7

Description: Emapunil, also known as AC-5216 and XBD-173, is a novel mitochondrial benzodiazepine receptor ligand (MBR ligand). AC-5216 showed high affinity for MBRs prepared from rat whole brain (Ki 0.297 nm), rat glioma cells (IC50 3.04 nm) and human glioma cells (IC50 2.73 nm), but only negligible affinity for the other main receptors including central benzodiazepine receptors. AC-5216 produced anti-anxiety effects in the Vogel-type conflict test in rats, and in the light/dark box and social interaction tests in mice at 0.1-3, 0.003-0.01 and 0.01-0.3 mg kg(-1), p.o., respectively.

Chemical Structure

Emapunil

CAS# 226954-04-7

Instruction

Theoretical Analysis

MedKoo Cat#: 530339
Name: Emapunil
CAS#: 226954-04-7
Chemical Formula: C23H23N5O2
Exact Mass: 401.19
Molecular Weight: 401.470
Elemental Analysis: C, 68.81; H, 5.77; N, 17.44; O, 7.97

Price and Availability

Size	Price	Availability
25mg	USD 150	2 weeks
50mg	USD 250	2 weeks
100mg	USD 450	2 weeks
200mg	USD 750	2 weeks
500mg	USD 1550	2 weeks
1g	USD 2650	2 weeks
2g	USD 4050	2 weeks
5g	USD 5850	2 weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: AC-5216; AC 5216; AC5216; XBD-173; XBD 173; XBD173; Emapunil.

IUPAC/Chemical Name: N-benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl)acetamide

InChi Key: NBMBIEOUVBHEBM-UHFFFAOYSA-N

InChi Code: 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

SMILES Code: O=C(N(CC)CC1=CC=CC=C1)CN2C(N(C)C3=CN=C(C4=CC=CC=C4)N=C23)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 401.47 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Crombie GK, Palliser HK, Shaw JC, Hodgson DM, Walker DW, Hirst JJ. Neurosteroid-based intervention using Ganaxolone and Emapunil for improving stress-induced myelination deficits and neurobehavioural disorders. Psychoneuroendocrinology. 2021 Nov;133:105423. doi: 10.1016/j.psyneuen.2021.105423. Epub 2021 Sep 24. PMID: 34601389.

2: Gong J, Szego ÉM, Leonov A, Benito E, Becker S, Fischer A, Zweckstetter M, Outeiro T, Schneider A. Translocator Protein Ligand Protects against Neurodegeneration in the MPTP Mouse Model of Parkinsonism. J Neurosci. 2019 May 8;39(19):3752-3769. doi: 10.1523/JNEUROSCI.2070-18.2019. Epub 2019 Feb 22. PMID: 30796158; PMCID: PMC6510339.

3: Costa B, Da Pozzo E, Martini C. Translocator protein as a promising target for novel anxiolytics. Curr Top Med Chem. 2012;12(4):270-85. doi: 10.2174/156802612799078720. PMID: 22204481.

4: Helo Y, Searle GE, Borghese F, Abraham S, Saleem A. Specificity of translocator protein-targeted positron emission tomography in inflammatory joint disease. EJNMMI Res. 2020 Dec 7;10(1):147. doi: 10.1186/s13550-020-00736-9. PMID: 33284369; PMCID: PMC7721924.

5: Dimitrova-Shumkovska J, Krstanoski L, Veenman L. Diagnostic and Therapeutic Potential of TSPO Studies Regarding Neurodegenerative Diseases, Psychiatric Disorders, Alcohol Use Disorders, Traumatic Brain Injury, and Stroke: An Update. Cells. 2020 Apr 2;9(4):870. doi: 10.3390/cells9040870. PMID: 32252470; PMCID: PMC7226777.

6: Conti E, Grana D, Angiulli F, Karantzoulis A, Villa C, Combi R, Appollonio I, Ferrarese C; ImmunAD-Brianza Network; Tremolizzo L. TSPO Modulates Oligomeric Amyloid-β-Induced Monocyte Chemotaxis: Relevance for Neuroinflammation in Alzheimer's Disease. J Alzheimers Dis. 2023;95(2):549-559. doi: 10.3233/JAD-230239. PMID: 37574731.

7: Crombie GK, Palliser HK, Shaw JC, Hodgson DM, Walker DW, Hirst JJ. Evaluating changes in GABAergic and glutamatergic pathways in early life following prenatal stress and postnatal neurosteroid supplementation. Psychoneuroendocrinology. 2022 May;139:105705. doi: 10.1016/j.psyneuen.2022.105705. Epub 2022 Feb 26. PMID: 35276552.

8: Scholz R, Caramoy A, Bhuckory MB, Rashid K, Chen M, Xu H, Grimm C, Langmann T. Targeting translocator protein (18 kDa) (TSPO) dampens pro-inflammatory microglia reactivity in the retina and protects from degeneration. J Neuroinflammation. 2015 Nov 2;12:201. doi: 10.1186/s12974-015-0422-5. PMID: 26527153; PMCID: PMC4630900.

9: Barron AM, Higuchi M, Hattori S, Kito S, Suhara T, Ji B. Regulation of Anxiety and Depression by Mitochondrial Translocator Protein-Mediated Steroidogenesis: the Role of Neurons. Mol Neurobiol. 2021 Feb;58(2):550-563. doi: 10.1007/s12035-020-02136-5. Epub 2020 Sep 29. PMID: 32989676.

10: Cappelli A, Bini G, Valenti S, Giuliani G, Paolino M, Anzini M, Vomero S, Giorgi G, Giordani A, Stasi LP, Makovec F, Ghelardini C, Di Cesare Mannelli L, Concas A, Porcu P, Biggio G. Synthesis and structure-activity relationship studies in translocator protein ligands based on a pyrazolo[3,4-b]quinoline scaffold. J Med Chem. 2011 Oct 27;54(20):7165-75. doi: 10.1021/jm200770f. Epub 2011 Sep 26. PMID: 21916402.

11: Kim T, Pae AN. Translocator protein (TSPO) ligands for the diagnosis or treatment of neurodegenerative diseases: a patent review (2010-2015; part 1). Expert Opin Ther Pat. 2016 Nov;26(11):1325-1351. doi: 10.1080/13543776.2016.1230606. Epub 2016 Sep 13. PMID: 27607364.

12: Leva G, Klein C, Benyounes J, Hallé F, Bihel F, Collongues N, De Seze J, Mensah-Nyagan AG, Patte-Mensah C. The translocator protein ligand XBD173 improves clinical symptoms and neuropathological markers in the SJL/J mouse model of multiple sclerosis. Biochim Biophys Acta Mol Basis Dis. 2017 Dec;1863(12):3016-3027. doi: 10.1016/j.bbadis.2017.09.007. Epub 2017 Sep 9. PMID: 28899788.

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