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MedKoo Cat#: 530411 | Name: GNE-5729

Description:

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

GNE-5729 is a potent and selective NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile. GNE-5729 had a very selective profile against various off-target ion channels with greater than a 100-fold selectivity over other NMDAR subtypes and greater than a 1000-fold selectivity over AMPAR. The improved pharmacokinetic profile and AMPAR selectivity make GNE-5729 a superior tool compound compare to GNE-0723 for testing the efficacy and safety of GluN2A potentiation.

Chemical Structure

GNE-5729
GNE-5729
CAS#2026635-66-3

Theoretical Analysis

MedKoo Cat#: 530411

Name: GNE-5729

CAS#: 2026635-66-3

Chemical Formula: C17H10Cl2F3N5O

Exact Mass: 427.0214

Molecular Weight: 428.20

Elemental Analysis: C, 47.69; H, 2.35; Cl, 16.56; F, 13.31; N, 16.36; O, 3.74

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
GNE-5729; GNE 5729; GNE5729.
IUPAC/Chemical Name
(1R,2R)-2-(7-chloro-2-((5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
InChi Key
GPMGDUIAVSFGGH-WCBMZHEXSA-N
InChi Code
InChI=1S/C17H10Cl2F3N5O/c18-11-1-2-14-24-9(7-26-13(19)5-12(25-26)17(20,21)22)4-15(28)27(14)16(11)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2/t8-,10+/m0/s1
SMILES Code
ClC(C=C1)=C([C@H]2[C@@H](C2)C#N)N3C1=NC(CN4C(Cl)=CC(C(F)(F)F)=N4)=CC3=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

Preparing Stock Solutions

The following data is based on the product molecular weight 428.20 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
GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile Elisia Villemure, Matthew Volgraf, Yu Jiang, Guosheng Wu, Cuong Q. Ly, Po-wai Yuen, Aijun Lu, Xifeng Luo, Mingcui Liu, Shun Zhang, Patrick J. Lupardus, Heidi J. A. Wallweber, Bianca M. Liederer, Gauri Deshmukh, Emile Plise, Suzanne Tay, Tzu-Ming Wang, Jesse E. Hanson, David H. Hackos, Kimberly Scearce-Levie, Jacob B. Schwarz, and Benjamin D. Sellers Publication Date (Web): October 31, 2016 (Letter) DOI: 10.1021/acsmedchemlett.6b00388