MedKoo Cat#: 530519 | Name: HTL14242

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

HTL14242
HTL14242
CAS#1644645-32-8

Theoretical Analysis

MedKoo Cat#: 530519

Name: HTL14242

CAS#: 1644645-32-8

Chemical Formula: C16H8ClFN4

Exact Mass: 310.0422

Molecular Weight: 310.72

Elemental Analysis: C, 61.85; H, 2.60; Cl, 11.41; F, 6.11; N, 18.03

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
HTL14242; HTL-14242; HTL 14242; HTL0014242; TMP-301; TMP 301; TMP301;
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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
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.