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ML385

CAT: 0013-GTR19170286-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170286-01Size:5 mg
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Description
ML385 is a novel and specific small molecule inhibitor of the NRF2 transcription factor (IC50 = 1.9 μM) . It exhibits anti-inflammatory and anti-tumor activities in research models by disrupting the NRF2-mediated antioxidant response pathway, making it a valuable tool for studying oxidative stress in cancer and inflammation.
CAS Number
846557-71-9
Product Name Alternative
Ferroptosis, Inhibitor, ML 385, ML385, ML-385, inhibit, Keap1-Nrf2, Nrf2
Field of Research
Cell Biology, Immunology & Inflammation
Purity
98.00% (May vary between batches)
Solubility
50% PEG300+50% Saline:5 mg/mL (9.77 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3 mg/mL (5.86 mM) ; DMSO:50 mg/mL (97.73 mM)
Smiles
Cc1sc (NC (=O) Cc2ccc3OCOc3c2) nc1-c1ccc2N (CCc2c1) C (=O) c1ccccc1C
Molecular Formula
C29H25N3O4S
Molecular Weight
511.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ML385
CAS Number846557-71-9
PubChem CID1383822
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
Molecular FormulaC29H25N3O4S
Molecular Weight511.6
XLogP5.3
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity844
SMILES
CC1=CC=CC=C1C(=O)N2CCC3=C2C=CC(=C3)C4=C(SC(=N4)NC(=O)CC5=CC6=C(C=C5)OCO6)C
InChI
InChI=1S/C29H25N3O4S/c1-17-5-3-4-6-22(17)28(34)32-12-11-20-15-21(8-9-23(20)32)27-18(2)37-29(31-27)30-26(33)14-19-7-10-24-25(13-19)36-16-35-24/h3-10,13,15H,11-12,14,16H2,1-2H3,(H,30,31,33)
InChIKey
LINHYWKZVCNAMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML385
CAS: 846557-71-9
CID: 1383822
Formula: C29H25N3O4S
MW: 511.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.6
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass511.15657746
Monoisotopic Mass511.15657746
Topological Polar Surface Area109 Ų
Heavy Atom Count37
Formal Charge0
Complexity844
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T4360-01ML385
HY-100523RML385 (Standard)

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