ICA-121431 | CAS#313254-51-2 | Nav1.3 and Nav1.1 voltage gated sodium channel inhibitor

MedKoo Cat#: 522583 | Name: ICA-121431

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Description:

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

ICA-121431 is a potent, selective inhibitor of the human Nav1.3 and Nav1.1 voltage gated sodium channels (IC50 = 19 nM) with little or no activity against human Nav1.5 or Nav1.7 channels. Voltage-gated sodium channels initiate action potentials in brain neurons, and sodium channel blockers are used in therapy of epilepsy.

Chemical Structure

ICA-121431

CAS#313254-51-2

Theoretical Analysis

MedKoo Cat#: 522583

Name: ICA-121431

CAS#: 313254-51-2

Chemical Formula: C23H19N3O3S2

Exact Mass: 449.0868

Molecular Weight: 449.54

Elemental Analysis: C, 61.45; H, 4.26; N, 9.35; O, 10.68; S, 14.26

Price and Availability

Size	Price	Availability
5mg	USD 300.00	2 Weeks
10mg	USD 500.00	2 Weeks
25mg	USD 850.00	2 Weeks

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Synonym

ICA-121431; ICA 121431; ICA121431.

IUPAC/Chemical Name

2,2-diphenyl-N-(4-(N-(thiazol-2-yl)sulfamoyl)phenyl)acetamide

InChi Key

URSQNPPONHUJDL-UHFFFAOYSA-N

InChi Code

InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27)

SMILES Code

O=C(NC1=CC=C(S(=O)(NC2=NC=CS2)=O)C=C1)C(C3=CC=CC=C3)C4=CC=CC=C4

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, not in 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:

ICA-121431 is a nanomolar potent and broad-spectrum voltage-gated sodium channel (Nav) blocker, shows equipotent selectivity for human Nav1.1 and Nav1.3 subtypes with IC50 values of 13 nM and 23 nM, respectively.

In vitro activity:

ICA-121431 reduced the INa amplitude in a non-voltage-dependent manner (Figure 3B), and thus did not alter the voltage dependency of activation (p = 0.06) (Figure 3C,D). However, ICA-121431 induced a negative shift of 10.3 mV (p < 0.0001) of the voltage dependence of inactivation (Figure 3C,E). These data are in agreement with previous data indicating that ICA-121431 preferentially interacts with inactivated NaV1.3 channels. Reference: Int J Mol Sci. 2022 Jan 13;23(2):827. https://pubmed.ncbi.nlm.nih.gov/35055012/

In vivo activity:

The increase in potency was associated with a selective increase in the efficacy of the NaV1.1 channel blocker ICA-121431 and NaV1.1 protein in the ION, but no change in NaV1.1 mRNA in trigeminal ganglia. Importantly, local ICA-121431 administration reversed ION CCI-induced hypersensitivity. Reference: J Neurosci. 2021 Oct 27;41(43):8991-9007. https://pubmed.ncbi.nlm.nih.gov/34446571/

	Solvent	mg/mL	mM
Solubility
	DMSO	44.5	98.93

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 449.54 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:

1. Réthoré L, Park J, Montnach J, Nicolas S, Khoury J, Le Seac'h E, Mabrouk K, De Pomyers H, Tricoire-Leignel H, Mattei C, Henrion D, Fajloun Z, De Waard M, Legendre C, Legros C. Pharmacological Dissection of the Crosstalk between NaV and CaV Channels in GH3b6 Cells. Int J Mol Sci. 2022 Jan 13;23(2):827. doi: 10.3390/ijms23020827. PMID: 35055012; PMCID: PMC8775721. 2. Garrison CE, Guan W, Kato M, Tamsett T, Patel T, Sun Y, Pathak TP. Structure-Activity Relationship Evaluation of Wasp Toxin β-PMTX Leads to Analogs with Superior Activity for Human Neuronal Sodium Channels. ACS Med Chem Lett. 2019 Oct 25;11(3):353-357. doi: 10.1021/acsmedchemlett.9b00415. PMID: 32184969; PMCID: PMC7074216. 3. Pineda-Farias JB, Loeza-Alcocer E, Nagarajan V, Gold MS, Sekula RF Jr. Mechanisms Underlying the Selective Therapeutic Efficacy of Carbamazepine for Attenuation of Trigeminal Nerve Injury Pain. J Neurosci. 2021 Oct 27;41(43):8991-9007. doi: 10.1523/JNEUROSCI.0547-21.2021. Epub 2021 Aug 26. PMID: 34446571; PMCID: PMC8549540. 4. Ru F, Pavelkova N, Krajewski JL, McDermott JS, Undem BJ, Kollarik M. Stimulus intensity-dependent recruitment of NaV1 subunits in action potential initiation in nerve terminals of vagal C-fibers innervating the esophagus. Am J Physiol Gastrointest Liver Physiol. 2020 Oct 1;319(4):G443-G453. doi: 10.1152/ajpgi.00122.2019. Epub 2020 Jul 29. PMID: 32726130; PMCID: PMC7654645.

In vitro protocol:

In vivo protocol:

1. Pineda-Farias JB, Loeza-Alcocer E, Nagarajan V, Gold MS, Sekula RF Jr. Mechanisms Underlying the Selective Therapeutic Efficacy of Carbamazepine for Attenuation of Trigeminal Nerve Injury Pain. J Neurosci. 2021 Oct 27;41(43):8991-9007. doi: 10.1523/JNEUROSCI.0547-21.2021. Epub 2021 Aug 26. PMID: 34446571; PMCID: PMC8549540. 2. Ru F, Pavelkova N, Krajewski JL, McDermott JS, Undem BJ, Kollarik M. Stimulus intensity-dependent recruitment of NaV1 subunits in action potential initiation in nerve terminals of vagal C-fibers innervating the esophagus. Am J Physiol Gastrointest Liver Physiol. 2020 Oct 1;319(4):G443-G453. doi: 10.1152/ajpgi.00122.2019. Epub 2020 Jul 29. PMID: 32726130; PMCID: PMC7654645.

1: McCormack K, Santos S, Chapman ML, Krafte DS, Marron BE, West CW, Krambis MJ, Antonio BM, Zellmer SG, Printzenhoff D, Padilla KM, Lin Z, Wagoner PK, Swain NA, Stupple PA, de Groot M, Butt RP, Castle NA. Voltage sensor interaction site for selective small molecule inhibitors of voltage-gated sodium channels. Proc Natl Acad Sci U S A. 2013 Jul 16;110(29):E2724-32. doi: 10.1073/pnas.1220844110. Epub 2013 Jul 1. PubMed PMID: 23818614; PubMed Central PMCID: PMC3718154.