| Identification | Back Directory | [Name]
Benzonitrile, 3-chloro-5-[6-(5-fluoro-2-pyridinyl)-4-pyrimidinyl]- | [CAS]
1644645-32-8 | [Synonyms]
HTL14242(HTL0014242)
3-Chloro-5-[6-(5-fluoro-2-pyridinyl)-4-pyrimidinyl]benzonitrile
Benzonitrile, 3-chloro-5-[6-(5-fluoro-2-pyridinyl)-4-pyrimidinyl]- | [Molecular Formula]
C16H8ClFN4 | [MDL Number]
MFCD29089618 | [MOL File]
1644645-32-8.mol | [Molecular Weight]
310.71 |
| Chemical Properties | Back Directory | [Boiling point ]
477.4±45.0 °C(Predicted) | [density ]
1.45±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 12.5 mg/mL (40.23 mM; Need ultrasonic) | [form ]
Solid | [pka]
-2.22±0.29(Predicted) | [color ]
White to yellow |
| Hazard Information | Back Directory | [Uses]
HTL14242 (HTL0014242) is an advanced and orally active mGlu5 NAM with a pKi?and a pIC50 of 9.3 and 9.2, respectively[1]. HTL14242 can be used for the research of parkinson’s disease[2]. | [in vivo]
HTL14242 (oral administration; 1, 3, or 10 mg/kg; sacrificed 1 h postdose) emonstrates an excellent, dose-dependent occupancy of mGlu5?receptors from an oral dose, with an estimated ED50?of 0.3 mg/kg[1]. HTL14242 (oral administration; 1 mg/ml) exhibits an oral PK Profile, the t1/2, AUCinf?and F% are 6.5 hours, 3946 ng/h/mL and 80%, respectively in dog[1]. | Animal Model: | Dog (PK study)[1] | | Dosage: | 3, 10 and 30 mg/kg | | Administration: | Oral administration; single dose | | Result: | Had a good PK characteristics in dogs. |
| [IC 50]
mGlu5 | [storage]
Store at -20°C | [References]
[1] Kirstie A Bennett, et al. Structure-based Discovery and Development of Metabotropic Glutamate Receptor 5 Negative Allosteric Modulators. Adv Pharmacol. .?2020;88:35-58. DOI:10.1016/bs.apha.2020.03.001
[2] John A Christopher, et al. Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). J Med Chem. .?2015 Aug 27;58(16):6653-64. DOI:10.1021/acs.jmedchem.5b00892 |
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