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(3S,4R) -ME-344

CAT: 0013-GTR19268354-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268354-01Size:50 mg
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Description
(3S,4R) -ME-344 is the (3S,4R) -enantiomer of ME-344. As an inhibitor of mitochondrial heme oxygenase 1 (HO-1), ME-344 specifically binds to and alters the structure of HO-1, facilitating its translocation from the rough endoplasmic reticulum to mitochondria, but only in drug-sensitive cells like H460 and SHP-77. This compound reduces mitochondrial ATP production and induces reactive oxygen species (ROS), disrupting redox balance and mitochondrial function. ME-344 exhibits significant antitumor activity, making it useful in cancer research, such as for breast cancer.
CAS Number
1374524-84-1
Field of Research
Immunology & Inflammation, Metabolism Research
Smiles
CC1=C2C ([C@H] ([C@H] (CO2) C3=CC=C (O) C=C3) C4=CC=C (O) C=C4) =CC=C1O
Molecular Formula
C22H20O4
Molecular Weight
348.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3S,4R)-3,4-bis(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
CAS Number1374524-84-1
PubChem CID89846317
IUPAC Name(3S,4R)-3,4-bis(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
Molecular FormulaC22H20O4
Molecular Weight348.4
XLogP4.4
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity453
SMILES
CC1=C(C=CC2=C1OC[C@@H]([C@@H]2C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C22H20O4/c1-13-20(25)11-10-18-21(15-4-8-17(24)9-5-15)19(12-26-22(13)18)14-2-6-16(23)7-3-14/h2-11,19,21,23-25H,12H2,1H3/t19-,21-/m1/s1
InChIKey
QVCAATSEPLQVBX-TZIWHRDSSA-N
Chemical Structure
2D Structure
2D structure of (3S,4R)-3,4-bis(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
CAS: 1374524-84-1
CID: 89846317
Formula: C22H20O4
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass348.13615911
Monoisotopic Mass348.13615911
Topological Polar Surface Area69.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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