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MedKoo Cat#: 555150 | Name: SSD114 HCl
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Description:

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

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

SSD114 HCl
CAS#2319790-02-6

Theoretical Analysis

MedKoo Cat#: 555150

Name: SSD114 HCl

CAS#: 2319790-02-6

Chemical Formula: C18H21ClF3N3O

Exact Mass: 0.0000

Molecular Weight: 387.83

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 750.00 2 Weeks
200mg USD 1,250.00 2 Weeks
500mg USD 2,650.00 2 Weeks
1g USD 3,650.00 2 Weeks
2g USD 5,950.00 2 Weeks
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Related CAS #
No Data
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
Product Data
Instruction
View handling instruction
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
Solvent mg/mL mM comments
Solubility
DMSO 130.0 335.20
Water 2.0 5.16
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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
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.