Nesolicaftor | CAS#1953130-87-4 | CFTR modulator

MedKoo Cat#: 555467 | Name: Nesolicaftor

Description:

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

Nesolicaftor, also known as PTI-428, is a type of CFTR modulator known as an amplifier, which acts to increase the amount of CFTR proteins a cell makes.

Chemical Structure

Nesolicaftor

CAS#1953130-87-4

Theoretical Analysis

MedKoo Cat#: 555467

Name: Nesolicaftor

CAS#: 1953130-87-4

Chemical Formula: C18H18N4O4

Exact Mass: 354.1328

Molecular Weight: 354.37

Elemental Analysis: C, 61.01; H, 5.12; N, 15.81; O, 18.06

Price and Availability

Size	Price	Availability
50mg	USD 1,050.00	2 Weeks
100mg	USD 1,650.00	2 Weeks
200mg	USD 2,450.00	2 Weeks
500mg	USD 3,750.00	2 Weeks

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Related CAS #

1953130-87-4

Synonym

PTI-428; PTI 428; PTI428; Nesolicaftor;

IUPAC/Chemical Name

N-(trans-3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide

InChi Key

XPEHHUISIBFLHX-RAIGVLPGSA-N

InChi Code

InChI=1S/C18H18N4O4/c1-10(23)17-20-21-18(25-17)12-7-13(8-12)19-16(24)15-9-14(22-26-15)11-5-3-2-4-6-11/h2-6,9-10,12-13,23H,7-8H2,1H3,(H,19,24)/t10-,12-,13-/m1/s1

SMILES Code

O=C(C1=CC(C2=CC=CC=C2)=NO1)N[C@H]3C[C@H](C4=NN=C([C@H](O)C)O4)C3

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

>3 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

There are two other types of CFTR modulators: potentiators, such as Kalydeco (ivacaftor), which help chloride ions flow through the CFTR channel; and correctors, such as lumacaftor and tezacaftor, which help mutated CFTR proteins form the right shape to allow sufficient water and salt transport across cell membranes.

Product Data

Product Data

Instruction

View handling instruction

Biological target:

Bengtson C, Silswal N, Baumlin N, Yoshida M, Dennis J, Yerrathota S, Kim M, Salathe M. The CFTR Amplifier Nesolicaftor Rescues TGF-β1 Inhibition of Modulator-Corrected F508del CFTR Function. Int J Mol Sci. 2022 Sep 19;23(18):10956. doi: 10.3390/ijms231810956. PMID: 36142862; PMCID: PMC9504033.

In vitro activity:

Nesolicaftor augmented the F508del CFTR response to ETI and reversed TGF-β1-induced reductions in CFTR conductance by increasing the expression of CFTR mRNA. Nesolicaftor further rescued the reduced ciliary beating and increased expression of the cytokines IL-6 and IL-8 caused by TGF-β1. Reference: Int J Mol Sci. 2022 Sep 19;23(18):10956. https://pubmed.ncbi.nlm.nih.gov/36142862/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMSO	160.5	452.92

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 354.37 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.