| Identification | Back Directory | [Name]
VU0405652 | [CAS]
1222878-02-5 | [Synonyms]
ML169
VU0405652
ML169 >=98% (HPLC)
2-[[1-[(5-Bromo-2-fluorophenyl)methyl]-1H-indol-3-yl]sulfonyl]-N-(5-methyl-3-isoxazolyl)-acetamide
Acetamide, 2-[[1-[(5-bromo-2-fluorophenyl)methyl]-1H-indol-3-yl]sulfonyl]-N-(5-methyl-3-isoxazolyl)- | [Molecular Formula]
C21H17BrFN3O4S | [MDL Number]
MFCD23704785 | [MOL File]
1222878-02-5.mol | [Molecular Weight]
506.34 |
| Chemical Properties | Back Directory | [Boiling point ]
784.2±60.0 °C(Predicted) | [density ]
1.60±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: >5mg/mL | [form ]
powder | [pka]
10.57±0.70(Predicted) | [color ]
white to beige | [InChI]
1S/C21H17BrFN3O4S/c1-13-8-20(25-30-13)24-21(27)12-31(28,29)19-11-26(18-5-3-2-4-16(18)19)10-14-9-15(22)6-7-17(14)23/h2-9,11H,10,12H2,1H3,(H,24,25,27) | [InChIKey]
RUYRNYRGPSAXTK-UHFFFAOYSA-N | [SMILES]
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(Br)ccc3F)c4ccccc24)no1 |
| Hazard Information | Back Directory | [Uses]
ML169 (VU0405652) is a potent, selective and brain penetrant positive allosteric modulator (PAM) of M1 mAChR, with an EC50 of 1.38 μM. ML169 is a MLPCN probe and can be used for Alzheimer’s disease[1]. | [Biological Activity]
ML169 is a positive allosteric modulator (PAM) of the muscarinic acetylcholine receptor M1 (CHRM1). ML169 does not cross react with other muscarinic receptors and is able to penetrate the blood brain barrier. | [in vivo]
ML169 (VU0405652) (10 mg/kg; i.p.) affords a brainAUC/plasmaAUC of 0.32 at 1 h in rats[1]. | [References]
[1] 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 May 1;21(9):2697-701. DOI:10.1016/j.bmcl.2010.12.015 |
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| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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