MRT-68921 HCl
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MedKoo CAT#: 555220

CAS#: 2080306-21-2 (HCl)

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


Chemical Structure

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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:
Molecular Weight: 507.5
Elemental Analysis: C, 59.17; H, 7.15; Cl, 13.97; N, 16.56; O, 3.15

Price and Availability

Size Price Availability Quantity
10.0mg USD 150.0 Same Day
25.0mg USD 250.0 Same Day
50.0mg USD 450.0 Same Day
100.0mg USD 750.0 Same Day
200.0mg USD 1250.0 Same Day
500.0mg USD 1950.0 Same Day
1.0g USD 3250.0 2 Weeks
2.0g USD 5450.0 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

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/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in H2O 33.3 65.6

Preparing Stock Solutions

The following data is based on the product molecular weight 507.5 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.

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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.