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TX-1123

CAT: 0013-GTR19209548-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209548-03Size:100 mg
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Description
TX-1123 is a multi-target small molecule inhibitor with activity against Src, eEF2-K, PKA, EGFR-K/PKC, and cyclo-oxygenases (COX-2 selective) . Its low mitochondrial toxicity profile supports its utility in cancer research for both in vitro enzymatic assays and in vivo preclinical studies.
CAS Number
157397-06-3
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Immunology & Inflammation, Neuroscience, Signal Transduction
Smiles
C (C) (C) (C) C1=C (O) C (C (C) (C) C) =CC (C=C2C (=O) C=CC2=O) =C1
Molecular Formula
C20H24O3
Molecular Weight
312.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((3,5-di-tert-Butyl-4-hydroxyphenyl)-methylene)-4-cyclopentene-1,3-dione
CAS Number157397-06-3
PubChem CID403661
IUPAC Name2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
Molecular FormulaC20H24O3
Molecular Weight312.4
XLogP5.1
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity510
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)C=CC2=O
InChI
InChI=1S/C20H24O3/c1-19(2,3)14-10-12(9-13-16(21)7-8-17(13)22)11-15(18(14)23)20(4,5)6/h7-11,23H,1-6H3
InChIKey
VUEUMQIBGLKJJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((3,5-di-tert-Butyl-4-hydroxyphenyl)-methylene)-4-cyclopentene-1,3-dione
CAS: 157397-06-3
CID: 403661
Formula: C20H24O3
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass312.17254462
Monoisotopic Mass312.17254462
Topological Polar Surface Area54.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity510
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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