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MedKoo Cat#: 532773 | Name: MKC-3946
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Description:

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

MKC3946 is a potent and soluble IRE1α inhibitor. MKC-3946 blocks XBP1 mRNA splicing and exhibits cytotoxicity against AML cells.

Chemical Structure

MKC-3946
MKC-3946
CAS#1093119-54-0

Theoretical Analysis

MedKoo Cat#: 532773

Name: MKC-3946

CAS#: 1093119-54-0

Chemical Formula: C21H20N2O3S

Exact Mass: 380.1195

Molecular Weight: 380.46

Elemental Analysis: C, 66.30; H, 5.30; N, 7.36; O, 12.62; S, 8.43

Price and Availability

Size Price Availability Quantity
10mg USD 250.00 2 Weeks
25mg USD 450.00 2 Weeks
50mg USD 850.00 2 Weeks
100mg USD 1,450.00 2 Weeks
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Related CAS #
No Data
Synonym
MKC-3946; MKC 3946; MKC3946.
IUPAC/Chemical Name
2-hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde
InChi Key
IVQVBMWPWPTSNO-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H20N2O3S/c1-22-8-10-23(11-9-22)21(26)20-7-6-19(27-20)15-2-4-16-14(12-15)3-5-18(25)17(16)13-24/h2-7,12-13,25H,8-11H2,1H3
SMILES Code
O=CC1=C(C=CC2=C1C=CC(C3=CC=C(S3)C(N4CCN(CC4)C)=O)=C2)O
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
>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:
MKC3946 is a potent IRE1α inhibitor, used for cancer research.
In vitro activity:
Cells were incubated with EtOH (50 mmol/L), CSE (20-40 μg/mL), or both (CSE+EtOH), and analyzed by immunoblotting, quantitative reverse-transcription polymerase chain reaction, and cell death assays. Some cells were incubated with MKC-3946, an inhibitor of endoplasmic reticulum to nucleus signaling 1 (ERN1, also called IRE1) that blocks XBP1s formation. Incubation of AR42J or primary mouse or human acinar cells with MKC-3946 reduced expression of XBP1s, increased levels of CHOP, and induced cell death. Reference: Gastroenterology. 2017 Dec;153(6):1674-1686. https://pubmed.ncbi.nlm.nih.gov/28847752/
In vivo activity:
The efficacy of MKC-3946 was tested in a mouse AD (aortic dissection) model. As shown in vitro, MKC-3946 could reduce the expression of XBP1s and protect against AD by suppressing XBP1s associated ROS production and apoptosis in VSMCs in vivo. Reference: Int J Biol Sci. 2022 Jan 1;18(3):1053-1064. https://pubmed.ncbi.nlm.nih.gov/35173538/
Solvent mg/mL mM comments
Solubility
DMSO 20.0 52.57
DMF 20.0 52.57
DMF:PBS (pH 7.2) (1:6) 0.1 0.37
Ethanol 3.0 7.89
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 380.46 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. Lugea A, Gerloff A, Su HY, Xu Z, Go A, Hu C, French SW, Wilson JS, Apte MV, Waldron RT, Pandol SJ. The Combination of Alcohol and Cigarette Smoke Induces Endoplasmic Reticulum Stress and Cell Death in Pancreatic Acinar Cells. Gastroenterology. 2017 Dec;153(6):1674-1686. doi: 10.1053/j.gastro.2017.08.036. Epub 2017 Aug 25. PMID: 28847752; PMCID: PMC5705421. 2. Mimura N, Fulciniti M, Gorgun G, Tai YT, Cirstea D, Santo L, Hu Y, Fabre C, Minami J, Ohguchi H, Kiziltepe T, Ikeda H, Kawano Y, French M, Blumenthal M, Tam V, Kertesz NL, Malyankar UM, Hokenson M, Pham T, Zeng Q, Patterson JB, Richardson PG, Munshi NC, Anderson KC. Blockade of XBP1 splicing by inhibition of IRE1α is a promising therapeutic option in multiple myeloma. Blood. 2012 Jun 14;119(24):5772-81. doi: 10.1182/blood-2011-07-366633. Epub 2012 Apr 26. PMID: 22538852; PMCID: PMC3382937. 3. Zhang W, Wang M, Gao K, Zhong X, Xie Y, Dai L, Liu W, Liu Y, He X, Li S, Madhusudhan T, Wang H, Zeng H. Pharmacologic IRE1α kinase inhibition alleviates aortic dissection by decreasing vascular smooth muscle cells apoptosis. Int J Biol Sci. 2022 Jan 1;18(3):1053-1064. doi: 10.7150/ijbs.63593. PMID: 35173538; PMCID: PMC8771832.
In vitro protocol:
1. Lugea A, Gerloff A, Su HY, Xu Z, Go A, Hu C, French SW, Wilson JS, Apte MV, Waldron RT, Pandol SJ. The Combination of Alcohol and Cigarette Smoke Induces Endoplasmic Reticulum Stress and Cell Death in Pancreatic Acinar Cells. Gastroenterology. 2017 Dec;153(6):1674-1686. doi: 10.1053/j.gastro.2017.08.036. Epub 2017 Aug 25. PMID: 28847752; PMCID: PMC5705421. 2. Mimura N, Fulciniti M, Gorgun G, Tai YT, Cirstea D, Santo L, Hu Y, Fabre C, Minami J, Ohguchi H, Kiziltepe T, Ikeda H, Kawano Y, French M, Blumenthal M, Tam V, Kertesz NL, Malyankar UM, Hokenson M, Pham T, Zeng Q, Patterson JB, Richardson PG, Munshi NC, Anderson KC. Blockade of XBP1 splicing by inhibition of IRE1α is a promising therapeutic option in multiple myeloma. Blood. 2012 Jun 14;119(24):5772-81. doi: 10.1182/blood-2011-07-366633. Epub 2012 Apr 26. PMID: 22538852; PMCID: PMC3382937.
In vivo protocol:
1. Zhang W, Wang M, Gao K, Zhong X, Xie Y, Dai L, Liu W, Liu Y, He X, Li S, Madhusudhan T, Wang H, Zeng H. Pharmacologic IRE1α kinase inhibition alleviates aortic dissection by decreasing vascular smooth muscle cells apoptosis. Int J Biol Sci. 2022 Jan 1;18(3):1053-1064. doi: 10.7150/ijbs.63593. PMID: 35173538; PMCID: PMC8771832. 2. Mimura N, Fulciniti M, Gorgun G, Tai YT, Cirstea D, Santo L, Hu Y, Fabre C, Minami J, Ohguchi H, Kiziltepe T, Ikeda H, Kawano Y, French M, Blumenthal M, Tam V, Kertesz NL, Malyankar UM, Hokenson M, Pham T, Zeng Q, Patterson JB, Richardson PG, Munshi NC, Anderson KC. Blockade of XBP1 splicing by inhibition of IRE1α is a promising therapeutic option in multiple myeloma. Blood. 2012 Jun 14;119(24):5772-81. doi: 10.1182/blood-2011-07-366633. Epub 2012 Apr 26. PMID: 22538852; PMCID: PMC3382937.
1. Mimura N, et al. Blockade of XBP1 splicing by inhibition of IRE1α is a promising therapeutic option in multiple myeloma. Blood. 2012 Jun 14;119(24):5772-81. 2. Sun H, et al. Inhibition of IRE1α-driven pro-survival pathways is a promising therapeutic application in acute myeloid leukemia. Oncotarget. 2016 Apr 5;7(14):18736-49.