JY-XHe-053

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

MedKoo CAT#: 525885

CAS#: 612526-36-0

Description: JY-XHe-053 is a selective modulator of GABAA receptors containing the α5 subunit.


Chemical Structure

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JY-XHe-053
CAS# 612526-36-0

Theoretical Analysis

MedKoo Cat#: 525885
Name: JY-XHe-053
CAS#: 612526-36-0
Chemical Formula: C22H16FN3O2
Exact Mass: 373.12
Molecular Weight: 373.387
Elemental Analysis: C, 70.77; H, 4.32; F, 5.09; N, 11.25; O, 8.57

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: JY-XHe-053

IUPAC/Chemical Name: 8-Ethynyl-6-(2-fluorophenyl)-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid ethyl ester

InChi Key: DANIDPUWXPDMNG-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H16FN3O2/c1-3-14-9-10-18-16(11-14)20(15-7-5-6-8-17(15)23)24-12-19-21(22(27)28-4-2)25-13-26(18)19/h1,5-11,13H,4,12H2,2H3

SMILES Code: O=C(C1=C2CN=C(C3=CC=CC=C3F)C4=CC(C#C)=CC=C4N2C=N1)OCC

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 373.39 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.

Recalculate based on batch purity %
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: Schwienteck KL, Li G, Poe MM, Cook JM, Banks ML, Stevens Negus S. Abuse-related effects of subtype-selective GABA(A) receptor positive allosteric modulators in an assay of intracranial self-stimulation in rats. Psychopharmacology (Berl). 2017 Apr 1. doi: 10.1007/s00213-017-4615-8. [Epub ahead of print] PubMed PMID: 28365836.

2: Fischer BD, Licata SC, Edwankar RV, Wang ZJ, Huang S, He X, Yu J, Zhou H, Johnson EM Jr, Cook JM, Furtmüller R, Ramerstorfer J, Sieghart W, Roth BL, Majumder S, Rowlett JK. Anxiolytic-like effects of 8-acetylene imidazobenzodiazepines in a rhesus monkey conflict procedure. Neuropharmacology. 2010 Dec;59(7-8):612-8. doi: 10.1016/j.neuropharm.2010.08.011. Epub 2010 Aug 18. PubMed PMID: 20727364; PubMed Central PMCID: PMC2963662.

3: Savić MM, Majumder S, Huang S, Edwankar RV, Furtmüller R, Joksimović S, Clayton T Sr, Ramerstorfer J, Milinković MM, Roth BL, Sieghart W, Cook JM. Novel positive allosteric modulators of GABAA receptors: do subtle differences in activity at alpha1 plus alpha5 versus alpha2 plus alpha3 subunits account for dissimilarities in behavioral effects in rats? Prog Neuropsychopharmacol Biol Psychiatry. 2010 Mar 17;34(2):376-86. doi: 10.1016/j.pnpbp.2010.01.004. Epub 2010 Jan 13. PubMed PMID: 20074611; PubMed Central PMCID: PMC2859624.