Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H18F3N5OS |
Molecular Weight | 421.439 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=NN=C(S1)C2=NN=C(C=C2)N3CCC(CC3)OC4=CC=CC=C4C(F)(F)F
InChI
InChIKey=NVUJDKDVOZVALT-UHFFFAOYSA-N
InChI=1S/C19H18F3N5OS/c1-12-23-26-18(29-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)28-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3
Thiadiazole-pyridazine derivative MF-438 has been identified as a potent stearoyl-CoA desaturase 1 (SCD1) inhibitor. Recently it has been shown that the upregulation of lung-cancer stem cell (CSC) markers can be reverted with a combination of MF-438 and cisplatin. The combination of MF-438 and cisplatin strongly synergizes the inhibition of 3D spheroid formation and induces CSC apoptosis.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: O00767|||Q96KF6 Gene ID: 6319.0 Gene Symbol: SCD Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/20004097 |
2.3 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28797843
Curator's Comment: Co-treatment with cisplatin and the SCD1 inhibitor MF-438 reverts upregulation of lung cancer stem cells (CSCs) markers, strongly synergizes in the inhibition of 3D spheroids formation and induces CSCs apoptosis. Mechanistically, SCD1 inhibition activates endoplasmic reticulum stress response and enhances autophagy.
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HI3FN320OX
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16042458
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921605-87-0
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admin on Fri Dec 15 16:05:48 GMT 2023 , Edited by admin on Fri Dec 15 16:05:48 GMT 2023
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ACTIVE MOIETY