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MedKoo Cat#: 555220 | Name: MRT-68921 HCl
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Description:

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

MRT68921 is an inhibitor of ULK1 and ULK2 (IC50s = 2.9 and 1.1 nM, respectively).

Chemical Structure

MRT-68921 HCl
MRT-68921 HCl
CAS#2080306-21-2 (HCl)

Theoretical Analysis

MedKoo Cat#: 555220

Name: MRT-68921 HCl

CAS#: 2080306-21-2 (HCl)

Chemical Formula: C25H36Cl2N6O

Exact Mass: 0.0000

Molecular Weight: 507.50

Elemental Analysis: C, 59.17; H, 7.15; Cl, 13.97; N, 16.56; O, 3.15

Price and Availability

Size Price Availability Quantity
5mg USD 90.00 Ready to ship
10mg USD 150.00 Ready to ship
25mg USD 250.00 Ready to ship
50mg USD 450.00 Ready to ship
100mg USD 750.00 Ready to ship
200mg USD 1,350.00 Ready to ship
500mg USD 2,650.00 Ready to ship
1g USD 3,850.00 2 Weeks
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Related CAS #
1190379-70-4 (free base) 2080306-21-2 (HCl)
Synonym
MRT68921 HCl; MRT68921 hydrochloride; MRT68921; MRT 68921; MRT-68921.
IUPAC/Chemical Name
N-(3-((5-cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide dihydrochloride
InChi Key
NLKPLTWKINJHCK-UHFFFAOYSA-N
InChi Code
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
SMILES Code
O=C(C1CCC1)NCCCNC2=NC(NC3=CC4=C(CN(C)CC4)C=C3)=NC=C2C5CC5.[H]Cl.[H]Cl
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
Biological target:
MRT68921 dihydrochloride is a potent inhibitor of ULK1 and ULK2, with IC50 values of 2.9 nM and 1.1 nM, respectively.
In vitro activity:
MRT68921 treatment occurred for 72 hours during spheroid culture prior to cell viability quantification. All HGSOC spheroids, irrespective of their different spheroid-forming abilities, exhibited a significant reduction in viable cell number due to MRT68921 treatment (Figure 6). Moreover, the majority of HGSOC cells failed to form intact spheroid clusters as compared with untreated controls. Interestingly, MRT68921 treatment did not affect cell viability or spheroid formation in FT190 spheroids. These data suggest that blocking autophagy induction through ULK1 inhibition decreases cluster formation and cell viability specifically in HGSOC spheroids. Reference: Am J Cancer Res. 2020; 10(5): 1384–1399. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7269771/
In vivo activity:
Treatment of NCI-H460 bearing mice with MRT68921 significantly decreased the growth of tumors compared with the control group (Fig. 6d, e). The difference in final tumor volumes between the 20 mg/kg/d-treated group and the 40 mg/kg/d-treated group was not statistically significant, whereas the difference in tumor weights of these two groups was significant (P < 0.05, Fig. 6f, g). All treatments were well-tolerated with no significant weight loss in any of the mice (Fig. 6h). A slight ulcer was observed on the injection site in the mice of the high dose MRT68921 group (40 mg/kg/d). To examine the effect of MRT68921 on the induction of apoptosis in xenograft tumors, staining of Bax and Bcl-2 by immunohistochemistry was done in the tumors from the MRT68921 treatment group and control group. Bax expression was significantly increased while Bcl-2 expression was decreased in the treatment group compared to the control group, suggesting an apoptotic tendency induced by MRT68921 (Fig. 6i, j). The inhibitory effect of MRT68921 on tumor growth was also observed in the MNK45-bearing xenograft mouse model (Fig. 6a–c). Reference: Cell Death Dis. 2020 Aug; 11(8): 712. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7463258/
Solvent mg/mL mM
Solubility
Soluble in H2O 33.3 65.60
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 507.50 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. Chen Y, Xie X, Wang C, Hu Y, Zhang H, Zhang L, Tu S, He Y, Li Y. Dual targeting of NUAK1 and ULK1 using the multitargeted inhibitor MRT68921 exerts potent antitumor activities. Cell Death Dis. 2020 Sep 1;11(8):712. doi: 10.1038/s41419-020-02885-0. PMID: 32873786; PMCID: PMC7463258. 2. Singha B, Laski J, Ramos Valdés Y, Liu E, DiMattia GE, Shepherd TG. Inhibiting ULK1 kinase decreases autophagy and cell viability in high-grade serous ovarian cancer spheroids. Am J Cancer Res. 2020 May 1;10(5):1384-1399. PMID: 32509386; PMCID: PMC7269771.
In vitro protocol:
1. Chen Y, Xie X, Wang C, Hu Y, Zhang H, Zhang L, Tu S, He Y, Li Y. Dual targeting of NUAK1 and ULK1 using the multitargeted inhibitor MRT68921 exerts potent antitumor activities. Cell Death Dis. 2020 Sep 1;11(8):712. doi: 10.1038/s41419-020-02885-0. PMID: 32873786; PMCID: PMC7463258. 2. Singha B, Laski J, Ramos Valdés Y, Liu E, DiMattia GE, Shepherd TG. Inhibiting ULK1 kinase decreases autophagy and cell viability in high-grade serous ovarian cancer spheroids. Am J Cancer Res. 2020 May 1;10(5):1384-1399. PMID: 32509386; PMCID: PMC7269771.
In vivo protocol:
1. Chen Y, Xie X, Wang C, Hu Y, Zhang H, Zhang L, Tu S, He Y, Li Y. Dual targeting of NUAK1 and ULK1 using the multitargeted inhibitor MRT68921 exerts potent antitumor activities. Cell Death Dis. 2020 Sep 1;11(8):712. doi: 10.1038/s41419-020-02885-0. PMID: 32873786; PMCID: PMC7463258.
1: Petherick KJ, Conway OJ, Mpamhanga C, Osborne SA, Kamal A, Saxty B, Ganley IG. Pharmacological inhibition of ULK1 kinase blocks mammalian target of rapamycin (mTOR)-dependent autophagy. J Biol Chem. 2015 May 1;290(18):11376-83. doi: 10.1074/jbc.C114.627778. Erratum in: J Biol Chem. 2015 Nov 27;290(48):28726. PubMed PMID: 25833948; PubMed Central PMCID: PMC4416842.