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1222878-02-5

1222878-02-5 Structure

1222878-02-5 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[WGK Germany ]

3
Hazard InformationBack 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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