WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H522571
CAS#: 1375751-08-8
Description: 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.
Hodoodo Cat#: H522571
Name: BMS-955829
CAS#: 1375751-08-8
Chemical Formula: C22H14F2N2O2
Exact Mass: 376.10
Molecular Weight: 376.363
Elemental Analysis: C, 70.21; H, 3.75; F, 10.10; N, 7.44; O, 8.50
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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: |
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