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

MedKoo Cat#: 525885 | Name: JY-XHe-053

Description:

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

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

Chemical Structure

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: 373.1227

Molecular Weight: 373.39

Elemental Analysis: C, 70.77; H, 4.32; F, 5.09; N, 11.25; O, 8.57

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

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

Instruction

View handling instruction

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.

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

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.