Synonym
VU-0456940, VU 0456940, VU0456940
IUPAC/Chemical Name
1-[4,6-difluoro-1-[6-(1-methylpyrazol-4-yl)pyridin-3-yl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
InChi Key
WAZHEZAQAZUMHH-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H19F2N5O4S/c1-14-5-17(29-35-14)8-19(32)13-36(33,34)23-12-31(22-7-16(25)6-20(26)24(22)23)18-3-4-21(27-10-18)15-9-28-30(2)11-15/h3-7,9-12H,8,13H2,1-2H3
SMILES Code
CN1N=CC(C2=CC=C(N3C=C(S(=O)(CC(CC4=NOC(C)=C4)=O)=O)C5=C3C=C(F)C=C5F)C=N2)=C1
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
511.50
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. Tarr JC, et al. Targeting selective activation of M1 for the treatment of Alzheimer’s disease: further chemical optimization and pharmacological characterization of the M1 positive allosteric modulator ML169. ACS Chem. Neurosci. 2012;3:884–895.
2. Reid PR, et al. Discovery and optimization of a novel, selective and brain penetrant M1 positive allosteric modulator (PAM): the development of ML169, an MLPCN Probe. Bioorg. Med. Chem. Lett. 2011;21:2697–2701.
3. Discovery of the Potent and Selective M1 PAM-Agonist N-[(3R,4S)-3-Hydroxytetrahydro-2H-pyran-4-yl]-5-methyl-4-[4-(1,3-thiazol-4-yl)benzyl]pyridine-2-carboxamide (PF-06767832): Evaluation of Efficacy and Cholinergic Side Effects Jennifer E. Davoren, Che-Wah Lee, Michelle Garnsey, Michael A. Brodney, Jason Cordes, Keith Dlugolenski, Jeremy R. Edgerton, Anthony R. Harris, Christopher J. Helal, Stephen Jenkinson, Gregory W. Kauffman, Terrence P. Kenakin, John T. Lazzaro, Susan M. Lotarski, Yuxia Mao, Deane M. Nason, Carrie Northcott, Lisa Nottebaum, Steven V. O’Neil, Betty Pettersen, Michael Popiolek, Veronica Reinhart, Romelia Salomon-Ferrer, Stefanus J. Steyn, Damien Webb, Lei Zhang, and Sarah Grimwood Publication Date (Web): June 8, 2016 (Article) DOI: 10.1021/acs.jmedchem.6b00544
