SSD114 HCl
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MedKoo CAT#: 555150

CAS#: 2319790-02-6

Description: SSD114 is a GABAB positive allosteric modulator. SSD114 potentiated GABA-stimulated [35S]GTPγS binding to native GABAB receptors, whereas it had no effect when used alone. SSD114, a molecule with a different chemical structure compared to known GABAB PAMs, is a novel GABAB PAM with potential usefulness in the GABAB-receptor research field.


Chemical Structure

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SSD114 HCl
CAS# 2319790-02-6

Theoretical Analysis

MedKoo Cat#: 555150
Name: SSD114 HCl
CAS#: 2319790-02-6
Chemical Formula: C18H21ClF3N3O
Exact Mass: 0.00
Molecular Weight: 387.830
Elemental Analysis: C, 55.75; H, 5.46; Cl, 9.14; F, 14.70; N, 10.83; O, 4.13

Price and Availability

Size Price Availability Quantity
100mg USD 750
200mg USD 1050
500mg USD 1650
1g USD 2950
2g USD 4250
5g USD 6950
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Synonym: SSD114 HCl; SSD114; SSD-114; SSD 114.

IUPAC/Chemical Name: N-cyclohexyl-4-methoxy-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine hydrochloride

InChi Key: YXQSTPASDICGCA-UHFFFAOYSA-N

InChi Code: InChI=1S/C18H20F3N3O.ClH/c1-25-16-11-15(12-7-9-13(10-8-12)18(19,20)21)23-17(24-16)22-14-5-3-2-4-6-14;/h7-11,14H,2-6H2,1H3,(H,22,23,24);1H

SMILES Code: FC(C1=CC=C(C2=CC(OC)=NC(NC3CCCCC3)=N2)C=C1)(F)F.[H]Cl

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 and water

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:

Product Data:
Biological target: SSD114 is a GABAB positive allosteric modulator.
In vitro activity: SSD114 is a novel GABAB PAM with potential usefulness in the GABAB-receptor research field. Increasing SSD114 fixed concentrations induced a leftward shift of the GABA concentration-response curve, enhancing the potency of GABA. SSD114 had a potentiating effect on GABA-stimulated binding of [35S]GTPγS to rat cortical membranes, with EC50 values in the low micromolar range. SSD114 also potentiated the GABA inhibition of adenylyl-cyclase mediated by GABAB receptors in CHO cells. Reference: Eur J Pharmacol. 2016 Nov 15;791:115-123. https://pubmed.ncbi.nlm.nih.gov/27578262/
In vivo activity: To be determined

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 130.0 335.20
Water 2.0 5.16

Preparing Stock Solutions

The following data is based on the product molecular weight 387.83 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
Formulation protocol: 1. Porcu A, Lobina C, Giunta D, Solinas M, Mugnaini C, Castelli MP. In vitro and in vivo pharmacological characterization of SSD114, a novel GABAB positive allosteric modulator. Eur J Pharmacol. 2016 Nov 15;791:115-123. doi: 10.1016/j.ejphar.2016.08.032. Epub 2016 Aug 27. PMID: 27578262.
In vitro protocol: 1. Porcu A, Lobina C, Giunta D, Solinas M, Mugnaini C, Castelli MP. In vitro and in vivo pharmacological characterization of SSD114, a novel GABAB positive allosteric modulator. Eur J Pharmacol. 2016 Nov 15;791:115-123. doi: 10.1016/j.ejphar.2016.08.032. Epub 2016 Aug 27. PMID: 27578262.
In vivo protocol: To be determined

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1: Porcu A, Lobina C, Giunta D, Solinas M, Mugnaini C, Castelli MP. In vitro and
in vivo pharmacological characterization of SSD114, a novel GABAB positive
allosteric modulator. Eur J Pharmacol. 2016 Nov 15;791:115-123. doi:
10.1016/j.ejphar.2016.08.032. Epub 2016 Aug 27. PubMed PMID: 27578262.