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Details

Stereochemistry ACHIRAL
Molecular Formula C26H36N6O2
Molecular Weight 464.603
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MRT-67307

SMILES

O=C(NCCCNC1=C(C=NC(NC2=CC(CN3CCOCC3)=CC=C2)=N1)C4CC4)C5CCC5

InChI

InChIKey=UKBGBACORPRCGG-UHFFFAOYSA-N
InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)

HIDE SMILES / InChI

Molecular Formula C26H36N6O2
Molecular Weight 464.603
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including: https://www.ncbi.nlm.nih.gov/pubmed/21138416 | https://www.ncbi.nlm.nih.gov/pubmed/23033494 | https://www.ncbi.nlm.nih.gov/pubmed/25833948

MRT 67307 dihydrochloride is a novel inhibitor of IKK-epsilon/TBK1. Negative regulation on the canonical IKKs may be critical in preventing the overproduction of the inflammatory mediators that lead to inflammatory and autoimmune diseases. In addition, it was demonstrated that MRT 67307 inhibits series of MARKs and salt inducible kinases (SIKs). SIKs prevent the formation of regulatory macrophages and their inhibition induces increasing in some markers of regulatory macrophages, such as IL-10 and other anti-inflammatory molecules. It is an inhibitor for ULK1and ULK2. ULK1, a serine/threonine protein kinase, is essential for the initial stages of autophagy. Cancer cells are thought to take advantage of autophagy to help them to cope with the stress of tumorigenesis; thus targeting autophagy is an attractive therapeutic approach.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
19.0 nM [IC50]
160.0 nM [IC50]
27.0 nM [IC50]
52.0 nM [IC50]
36.0 nM [IC50]
41.0 nM [IC50]
250.0 nM [IC50]
67.0 nM [IC50]
430.0 nM [IC50]
230.0 nM [IC50]
900.0 nM [IC50]
45.0 nM [IC50]
38.0 nM [IC50]
Conditions
PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
Wild-type mouse embryonic fibroblasts (MEFs) were co-transfected with DNA encoding an NF-κB luciferase reporter construct and pTK-RL plasmid DNA. At 24 h post-transfection, the cells were incubated for 1 h without or with 2 uM MRT67307 prior to stimulation with 5 ng/ml IL-1α for the times indicated. MRT67307 enhanced IL-1-stimulated activation of NF-κB dependent gene transcription in wild-type MEFs.
Substance Class Chemical
Created
by admin
on Thu Jul 06 18:12:07 UTC 2023
Edited
by admin
on Thu Jul 06 18:12:07 UTC 2023
Record UNII
MEY37JZ4XR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MRT-67307
Code English
N-(3-((5-CYCLOPROPYL-2-((3-(4-MORPHOLINYLMETHYL)PHENYL)AMINO)-4-PYRIMIDINYL)AMINO)PROPYL)CYCLOBUTANECARBOXAMIDE
Systematic Name English
MRT67307
Common Name English
CYCLOBUTANECARBOXAMIDE, N-(3-((5-CYCLOPROPYL-2-((3-(4-MORPHOLINYLMETHYL)PHENYL)AMINO)-4-PYRIMIDINYL)AMINO)PROPYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
44464263
Created by admin on Thu Jul 06 18:12:07 UTC 2023 , Edited by admin on Thu Jul 06 18:12:07 UTC 2023
PRIMARY
CAS
1190378-57-4
Created by admin on Thu Jul 06 18:12:07 UTC 2023 , Edited by admin on Thu Jul 06 18:12:07 UTC 2023
PRIMARY
FDA UNII
MEY37JZ4XR
Created by admin on Thu Jul 06 18:12:07 UTC 2023 , Edited by admin on Thu Jul 06 18:12:07 UTC 2023
PRIMARY
EPA CompTox
DTXSID40659192
Created by admin on Thu Jul 06 18:12:07 UTC 2023 , Edited by admin on Thu Jul 06 18:12:07 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY