MedKoo Cat#: 522571 | Name: BMS-955829

Description:

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

BMS-955829 is a Positive allosteric modulators (PAMs). BMS-955829 shows high functional PAM potency, excellent mGluR5 binding affinity, low glutamate fold shift, and high selectivity for the mGluR5 subtype. BMS-955829 is a potent mGluR5 PAM (EC50 = 2.6 ± 1.0 nM; n = 6), devoid of inherent mGluR5 agonist activity (EC50 > 30μM). The measured binding Ki of BMS-955829 was found to be 1.6 nM, which was in good agreement with its functional potency.

Chemical Structure

BMS-955829
BMS-955829
CAS# 1375751-08-8

Theoretical Analysis

MedKoo Cat#: 522571

Name: BMS-955829

CAS#: 1375751-08-8

Chemical Formula: C22H14F2N2O2

Exact Mass: 376.1023

Molecular Weight: 376.36

Elemental Analysis: C, 70.21; H, 3.75; F, 10.10; N, 7.44; O, 8.50

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
BMS-955829; BMS 955829; BMS955829.
IUPAC/Chemical Name
(4R,5R)-5-(2,5-difluorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
InChi Key
HIRXVQATYCZQHB-NHCUHLMSSA-N
InChi Code
InChI=1S/C22H14F2N2O2/c23-17-8-9-19(24)18(11-17)21-20(26-22(27)28-21)16-10-15(12-25-13-16)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/m1/s1
SMILES Code
FC1=CC=C(C=C1[C@H]([C@@H](C2=CC(C#CC3=CC=CC=C3)=CN=C2)N4)OC4=O)F
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, not in water
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 376.36 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
Discovery and Preclinical Evaluation of BMS-955829, a Potent Positive Allosteric Modulator of mGluR5 Fukang Yang, Lawrence B. Snyder, Anand Balakrishnan, Jeffrey M. Brown, Digavalli V. Sivarao, Amy Easton, Alda Fernandes, Michael Gulianello, Umesh M. Hanumegowda, Hong Huang, Yanling Huang, Kelli M. Jones, Yu-Wen Li, Michele Matchett, Gail Mattson, Regina Miller, Kenneth S. Santone, Arun enapati, Eric E. Shields, Frank J. Simutis, Ryan Westphal, Valerie J. Whiterock, Joanne J. Bronson, John E. Macor, and Andrew P. Degnan Publication Date (Web): January 4, 2016 (Letter) DOI: 10.1021/acsmedchemlett.5b00450