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SML1644

Sigma-Aldrich

MRT68921 dihydrochloride

≥98% (HPLC)

Synonym(s):

N-[3-[[5-Cyclopropyl-2-[(1,2,3,4-tetrahydro-2-methyl-6-isoquinolinyl)amino]-4-pyrimidinyl]amino]propyl]-cyclobutanecarboxamide dihydrochloride

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About This Item

Empirical Formula (Hill Notation):
C25H34N6O · 2HCl
CAS Number:
1190379-70-4
Molecular Weight:
507.50
UNSPSC Code:
12352200
PubChem Substance ID:
329825985
NACRES:
NA.77

Quality Level

100

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

H2O: 20 mg/mL, clear

storage temp.

2-8°C

SMILES string

CN(C1)CCC2=C1C=CC(NC3=NC=C(C4CC4)C(NCCCNC(C5CCC5)=O)=N3)=C2.[H]Cl.[H]Cl

InChI

1S/C25H34N6O.2ClH/c1-31-13-10-19-14-21(9-8-20(19)16-31)29-25-28-15-22(17-6-7-17)23(30-25)26-11-3-12-27-24(32)18-4-2-5-18;;/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H,27,32)(H2,26,28,29,30);2*1H

InChI key

NLKPLTWKINJHCK-UHFFFAOYSA-N

Application

MRT68921 dihydrochloride has been used:
  • as a specific inhibitor of Unc-51-like kinase 1 (ULK1) in SH-SY5Y neuroblastoma cells
  • as an inhibitor of ULK1 and ULK2 kinases in intrahepatic lymphocytes
  • as a ULK1 inhibitor to test its effect on attenuation of autophagosome accumulation in ubiquitin-specific peptidase 24 (USP24) knockdown containing human neuroglioma H4 cells

Biochem/physiol Actions

MRT68921 is a cell penetrant, potent and specific inhibitor of ULK1 and ULK2 kinases in vitro, which reduces ULK1 activity in cells and blocks autophagy induction. MRT68921 blocks mTOR dependent autophagy.
MRT68921 is cytotoxic and acts on oxidative stress signals to kill cancer cells, making it an effective tumor therapy agent.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Yiran Chen et al.
Cell death & disease, 11(8), 712-712 (2020-09-03)
Utilizing oxidative stress has recently been regarded as a potential strategy for tumor therapy. The NUAK family SNF1-like kinase 1 (NUAK1) is a critical component of the antioxidant defense system and is necessary for the survival of tumors. Therefore, NUAK1
Yasuomi Urano et al.
Autophagy, 14(11), 1943-1958 (2018-08-17)
PARK7/DJ-1 is a Parkinson disease- and cancer-associated protein that functions as a multifunctional protein involved in gene transcription regulation and anti-oxidative defense. Although PARK7 lacks the secretory signal sequence, it is secreted and plays important physiological and pathophysiological roles. Whereas

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