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[CAS NO. 1644645-32-8] HTL14242
| Ships within | Stock | Price | Qty | Total |
Please click "REQUEST A QUOTE" button if there is no stock, or you need other sizes or custom synthesis.
| Catalog: | HY-W062697 |
| Brand: | MCE |
| CAS: | 1644645-32-8 |
Overview
| MDL | - |
|---|---|
| Molecular Weight | 310.71 |
| Molecular Formula | C16H8ClFN4 |
| SMILES | N#CC1=CC(C2=NC=NC(C3=NC=C(F)C=C3)=C2)=CC(Cl)=C1 |
Summary
IC50 & Target
|
mGlu 5
|
In Vitro
HTL14242 is stable in rat plasma, inactive at the hERG ion-channel, and has a clean profile in vitro assays of cytotoxicity in HepG2 cells, the TC
50
is >90 μM
[1]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
HTL14242 (oral administration; 1, 3, or 10 mg/kg; sacrificed 1 h postdose) emonstrates an excellent, dose-dependent occupancy of mGlu
5
receptors from an oral dose, with an estimated ED
50
of 0.3 mg/kg
[1]
.
HTL14242 (oral administration; 1 mg/ml) exhibits an oral PK Profile, the t
1/2
, AUC
inf
and F% are 6.5 hours, 3946 ng/h/mL and 80%, respectively in dog
[1]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
| 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. |
Clinical Trial
| NCT Number | Sponsor | Condition | Start Date | Phase |
|---|---|---|---|---|
| NCT03785054 | Heptares Therapeutics Limited|Covance |
Healthy
|
November 14, 2018 | Phase 1 |
| NCT04462263 | Heptares Therapeutics Limited |
Healthy
|
June 29, 2020 | Phase 1 |
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : 12.5 mg/mL ( 40.23 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 3.2184 mL | 16.0922 mL | 32.1844 mL |
| 5 mM | 0.6437 mL | 3.2184 mL | 6.4369 mL |
| 10 mM | 0.3218 mL | 1.6092 mL | 3.2184 mL |
-
1.
Add each solvent one by one: 10% DMSO >> 90% corn oil
Solubility: ≥ 1.25 mg/mL (4.02 mM); Clear solution
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.
- [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):66
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