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MSN-125

CAT: 0013-GTR19204190-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204190-02Size:50 mg
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Description
MSN-125 is a cell-permeable small molecule inhibitor of Bax/Bak oligomerization, thereby blocking mitochondrial outer membrane permeabilization (MOMP) and apoptosis. With an IC50 of 4 μM for MOMP inhibition, it has demonstrated protective effects against apoptotic cell death in HCT-116 cells, BMK cells, and primary cortical neurons, including in models of glutamate excitotoxicity.
CAS Number
1592908-16-1
Field of Research
Cell Biology, Signal Transduction
Smiles
COCCOCOc1ccc2[C@@H] ([C@@H] (CN) Oc2c1) N (Cc1ccc (Br) cc1) C (=O) [C@H] (Cc1ccccc1) NC (=O) c1ccccc1
Molecular Formula
C36H38BrN3O6
Molecular Weight
688.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(2S)-1-[[(2R,3S)-2-(aminomethyl)-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1-benzofuran-3-yl]-[(4-bromophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CAS Number1592908-16-1
PubChem CID146014431
IUPAC NameN-[(2S)-1-[[(2R,3S)-2-(aminomethyl)-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1-benzofuran-3-yl]-[(4-bromophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
Molecular FormulaC36H38BrN3O6
Molecular Weight688.6
XLogP5.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count46
Formal Charge0
Complexity923
SMILES
COCCOCOC1=CC2=C(C=C1)[C@@H]([C@H](O2)CN)N(CC3=CC=C(C=C3)Br)C(=O)[C@H](CC4=CC=CC=C4)NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C36H38BrN3O6/c1-43-18-19-44-24-45-29-16-17-30-32(21-29)46-33(22-38)34(30)40(23-26-12-14-28(37)15-13-26)36(42)31(20-25-8-4-2-5-9-25)39-35(41)27-10-6-3-7-11-27/h2-17,21,31,33-34H,18-20,22-24,38H2,1H3,(H,39,41)/t31-,33+,34-/m0/s1
InChIKey
NUPXNNVRTSEHSR-IGOOQNSHSA-N
Chemical Structure
2D Structure
2D structure of N-[(2S)-1-[[(2R,3S)-2-(aminomethyl)-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1-benzofuran-3-yl]-[(4-bromophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CAS: 1592908-16-1
CID: 146014431
Formula: C36H38BrN3O6
MW: 688.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight688.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass687.19440
Monoisotopic Mass687.19440
Topological Polar Surface Area112 Ų
Heavy Atom Count46
Formal Charge0
Complexity923
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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