MSC 2032964A | CAS#1124381-43-6 | ASK1 inhibitor

MedKoo Cat#: 523124 | Name: MSC 2032964A

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Description:

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

MSC 2032964A is a potent and selective ASK1 inhibitor (IC50 = 93 nM). It blocks LPS-induced ASK1 and p38 phosphorylation in cultured mouse astrocytes and suppresses neuroinflammation in a mouse EAE model. MSC 2032964A is orally bioavailable and brain penetrant.

Chemical Structure

MSC 2032964A

CAS#1124381-43-6

Theoretical Analysis

MedKoo Cat#: 523124

Name: MSC 2032964A

CAS#: 1124381-43-6

Chemical Formula: C16H13F3N6O

Exact Mass: 362.1103

Molecular Weight: 362.32

Elemental Analysis: C, 53.04; H, 3.62; F, 15.73; N, 23.20; O, 4.42

Price and Availability

Size	Price	Availability	Quantity
10mg	USD 550.00	2 Weeks

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Synonym

MSC-2032964A; MSC2032964A; MSC 2032964A.

IUPAC/Chemical Name

N-[5-(Cyclopropylamino)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridinecarboxamide

InChi Key

XUKGFHHTSUKORV-UHFFFAOYSA-N

InChi Code

InChI=1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26)

SMILES Code

O=C(C1=CC=CN=C1)NC2=NN3C(NC4CC4)=CC(C(F)(F)F)=CC3=N2

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:

MSC 2032964A is a potent and selective ASK1 inhibitor (IC50 = 93 nM).

In vitro activity:

To this aim, this study performed a high-throughput screening with purified ASK1 and have identified one small molecule inhibitor Hit Series. The most potent compound from the Series, MSC1946002A, showed a moderate inhibition of the enzymatic activity of ASK1 (IC50 of 3000 ± 320 nM). The profiling of MSC2032964A revealed an excellent overall in vitro ADME profile. Reference: EMBO Mol Med. 2010 Dec;2(12):504-15. https://pubmed.ncbi.nlm.nih.gov/21064192/

In vivo activity:

This study tested MSC2032964A in in vivo inflammation models and found that it blocked LPS-induced ASK1 and p38 phosphorylation in cultured mouse astrocytes (Fig 7A). The disease incidence of EAE was not different between vehicle- and 30 mg/kg MSC2032964A-treated groups, but MSC2032964A induced a significantly attenuated disease course after d18, nearly reproducing the phenotype observed in ASK1−/− mice (Fig 7B). Reference: EMBO Mol Med. 2010 Dec;2(12):504-15. https://pubmed.ncbi.nlm.nih.gov/21064192/

	Solvent	mg/mL	mM
Solubility
	DMSO	7.3	20.00

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 362.32 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:

Guo X, Harada C, Namekata K, Matsuzawa A, Camps M, Ji H, Swinnen D, Jorand-Lebrun C, Muzerelle M, Vitte PA, Rückle T, Kimura A, Kohyama K, Matsumoto Y, Ichijo H, Harada T. Regulation of the severity of neuroinflammation and demyelination by TLR-ASK1-p38 pathway. EMBO Mol Med. 2010 Dec;2(12):504-15. doi: 10.1002/emmm.201000103. PMID: 21064192; PMCID: PMC3377347.

In vitro protocol:

In vivo protocol:

1: Kawarazaki Y, Ichijo H, Naguro I. Apoptosis signal-regulating kinase 1 as a therapeutic target. Expert Opin Ther Targets. 2014 Jun;18(6):651-64. doi: 10.1517/14728222.2014.896903. Epub 2014 Mar 24. Review. PubMed PMID: 24660755.