WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H530519
CAS#: 1644645-32-8
Description: HTL14242 is a mGlu5 Negative Allosteric Modulator. Metabotropic glutamate receptors (mGluRs) constitute the class C of G-protein coupled receptors (GPCRs) and play a key role in glutamatergic signaling. The inhibition of mGluR5, which is mostly expressed in the striatum, hippocampus, amygdala, and frontal cortex, is therefore considered as a potential therapeutic intervention in a number of psychiatry indications, including fragile X syndrome, anxiety, and depression.
Hodoodo Cat#: H530519
Name: HTL14242
CAS#: 1644645-32-8
Chemical Formula: C16H8ClFN4
Exact Mass: 310.04
Molecular Weight: 310.716
Elemental Analysis: C, 61.85; H, 2.60; Cl, 11.41; F, 6.11; N, 18.03
This product is not in stock, which may be available by custom synthesis.
For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge).
Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.
Synonym: HTL14242; HTL-14242; HTL 14242.
IUPAC/Chemical Name: 3-chloro-5-(6-(5-fluoropyridin-2-yl)pyrimidin-4-yl)benzonitrile
InChi Key: FQAXDSVNYVVQSE-UHFFFAOYSA-N
InChi Code: InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
SMILES Code: N#CC1=CC(C2=NC=NC(C3=NC=C(F)C=C3)=C2)=CC(Cl)=C1
Appearance: Solid powder
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
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
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 310.72 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Christopher JA, Aves SJ, Bennett KA, Doré AS, Errey JC, Jazayeri A, Marshall
FH, Okrasa K, Serrano-Vega MJ, Tehan BG, Wiggin GR, Congreve M. 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. PubMed PMID:
26225459.
2: Topiol S, Sabio M. 7TM X-ray structures for class C GPCRs as new
drug-discovery tools. 1. mGluR5. Bioorg Med Chem Lett. 2016 Jan 15;26(2):484-94.
doi: 10.1016/j.bmcl.2015.11.087. PubMed PMID: 26706173.
3: Tehan BG, Christopher JA. The use of conformationally thermostabilised GPCRs
in drug discovery: application to fragment, structure and biophysical techniques.
Curr Opin Pharmacol. 2016 Oct;30:8-13. doi: 10.1016/j.coph.2016.06.010. Review.
PubMed PMID: 27400445.
