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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
Structure of MF-438

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

HIDE SMILES / InChI
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.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: O00767|||Q96KF6
Gene ID: 6319.0
Gene Symbol: SCD
Target Organism: Homo sapiens (Human)
2.3 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Synthesis and biological activity of a potent and orally bioavailable SCD inhibitor (MF-438).
2010 Jan 15
Blockade of Stearoyl-CoA-desaturase 1 activity reverts resistance to cisplatin in lung cancer stem cells.
2017 Oct 10
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
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.
Unknown
Name Type Language
MF-438
Common Name English
PYRIDAZINE, 3-(5-METHYL-1,3,4-THIADIAZOL-2-YL)-6-(4-(2-(TRIFLUOROMETHYL)PHENOXY)-1-PIPERIDINYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
HI3FN320OX
Created by admin on Fri Dec 15 16:05:48 GMT 2023 , Edited by admin on Fri Dec 15 16:05:48 GMT 2023
PRIMARY
PUBCHEM
16042458
Created by admin on Fri Dec 15 16:05:48 GMT 2023 , Edited by admin on Fri Dec 15 16:05:48 GMT 2023
PRIMARY
CAS
921605-87-0
Created by admin on Fri Dec 15 16:05:48 GMT 2023 , Edited by admin on Fri Dec 15 16:05:48 GMT 2023
PRIMARY