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TMBIM6 antagonist-1

CAT: 0931-T8649-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T8649-01Size:1 mg
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CAS Number
123134-61-2
Target
MTOR
Related Pathways
PI3K/Akt/mTOR signaling
Purity
0.9934
Bioactivity
TMBIM6 antagonist-1 (BAX-inhibitor-1) is a bax inhibitor
Smiles
O=C(C1=C(N)C=CC=C1)C=CC2=CC=CC([N+]([O-])=O)=C2
Molecular Formula
C15H12N2O3
Molecular Weight
268.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TMBIM6 antagonist-1
CAS Number123134-61-2
PubChem CID11425639
IUPAC Name(E)-1-(2-aminophenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Molecular FormulaC15H12N2O3
Molecular Weight268.27
XLogP3.4
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity389
SMILES
C1=CC=C(C(=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])N
InChI
InChI=1S/C15H12N2O3/c16-14-7-2-1-6-13(14)15(18)9-8-11-4-3-5-12(10-11)17(19)20/h1-10H,16H2/b9-8+
InChIKey
LRMPAVQDWGDIBD-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of TMBIM6 antagonist-1
CAS: 123134-61-2
CID: 11425639
Formula: C15H12N2O3
MW: 268.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight268.27
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass268.08479225
Monoisotopic Mass268.08479225
Topological Polar Surface Area88.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes