MRT68921 free base
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MedKoo CAT#: 531223

CAS#: 1190379-70-4 (free base)

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

Chemical Structure

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MRT68921 free base
CAS# 1190379-70-4 (free base)
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 531223
Name: MRT68921 free base
CAS#: 1190379-70-4 (free base)
Chemical Formula: C27H36N4O
Exact Mass: 432.29
Molecular Weight: 432.612
Elemental Analysis: C, 74.96; H, 8.39; N, 12.95; O, 3.70

Price and Availability

Size Price Availability Quantity
5mg USD 295 2 Weeks
10mg USD 500 2 Weeks
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Related CAS #: 1190379-70-4 (free base)   2080306-21-2 (HCl)  

Synonym: MRT68921; MRT-68921; MRT 68921; MRT68921 free base.

IUPAC/Chemical Name: Cyclobutanecarboxylic acid {3-[2-cyclopropyl-5-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-6-ylamino)-phenylamino]-propyl}-amide

InChi Key: JGKCPXMSBDYENM-UHFFFAOYSA-N

InChi Code: InChI=1S/C27H36N4O/c1-31-15-12-21-16-23(9-8-22(21)18-31)30-24-10-11-25(19-6-7-19)26(17-24)28-13-3-14-29-27(32)20-4-2-5-20/h8-11,16-17,19-20,28,30H,2-7,12-15,18H2,1H3,(H,29,32)

SMILES Code: O=C(C1CCC1)NCCCNC2=CC(NC3=CC4=C(CN(C)CC4)C=C3)=CC=C2C5CC5

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
Certificate of Analysis:
View CoA: current batch, Lot#C9M03C26
Safety Data Sheet (SDS):
View Safety Data Sheet (SDS)
Instruction:
View handling instruction
Biological target: MRT68921 is a potent inhibitor of ULK1 and ULK2, with IC50 values of 2.9 nM and 1.1 nM.
In vitro activity: Inhibition of ULK1 activity (by treatment with MRT68921) or its expression (by siRNA knockdown) in STAT3-KO cells inhibits autophagy and sensitizes cells to apoptosis. Reference: J Cell Mol Med. 2022 Jul;26(14):3873-3890. https://pubmed.ncbi.nlm.nih.gov/35670018/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 5.0 11.56
DMF:PBS (pH 7.2) (1:5) 0.2 0.37
DMSO 3.0 6.93
Ethanol 2.0 4.62

Preparing Stock Solutions

The following data is based on the product molecular weight 432.61 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. Bhattacharya S, Yin J, Yang C, Wang Y, Sims M, Pfeffer LM, Chaum E. STAT3 suppresses the AMPKα/ULK1-dependent induction of autophagy in glioblastoma cells. J Cell Mol Med. 2022 Jul;26(14):3873-3890. doi: 10.1111/jcmm.17421. Epub 2022 Jun 6. PMID: 35670018; PMCID: PMC9279602. 2. Avsec D, Jakoš Djordjevič AT, Kandušer M, Podgornik H, Škerget M, Mlinarič-Raščan I. Targeting Autophagy Triggers Apoptosis and Complements the Action of Venetoclax in Chronic Lymphocytic Leukemia Cells. Cancers (Basel). 2021 Sep 10;13(18):4557. doi: 10.3390/cancers13184557. PMID: 34572784; PMCID: PMC8466897.
In vitro protocol: 1. Bhattacharya S, Yin J, Yang C, Wang Y, Sims M, Pfeffer LM, Chaum E. STAT3 suppresses the AMPKα/ULK1-dependent induction of autophagy in glioblastoma cells. J Cell Mol Med. 2022 Jul;26(14):3873-3890. doi: 10.1111/jcmm.17421. Epub 2022 Jun 6. PMID: 35670018; PMCID: PMC9279602. 2. Avsec D, Jakoš Djordjevič AT, Kandušer M, Podgornik H, Škerget M, Mlinarič-Raščan I. Targeting Autophagy Triggers Apoptosis and Complements the Action of Venetoclax in Chronic Lymphocytic Leukemia Cells. Cancers (Basel). 2021 Sep 10;13(18):4557. doi: 10.3390/cancers13184557. PMID: 34572784; PMCID: PMC8466897.
In vivo protocol: TBD

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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.