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PT-1

CAT: 0013-GTR19238556-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238556-03Size:10 mg
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Description
PT-1 is a small molecule activator of AMPKα1 that induces dose-dependent phosphorylation at key residues (α1 T394, α1 S335, α2 T398) . This compound is a valuable research tool for studying AMPK signaling in metabolic regulation, cellular stress responses, and related pathways in both in vitro and in vivo experimental models.
CAS Number
331002-70-1
Product Name Alternative
PT1, PT 1
Field of Research
Epigenetics & Chromatin, Signal Transduction
Purity
99.62% (May vary between batches)
Solubility
DMSO:16 mg/mL (32.13 mM)
Smiles
O=C (O) C1=CC (=CC=C1Cl) NC2=NC (=O) C (S2) =CC=3OC (=CC3) C=4C=C (C (=CC4N (=O) =O) C) C
Molecular Formula
C23H16ClN3O6S
Molecular Weight
497.91
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Chloro-5-((5-((5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl)methylene)-4,5-dihydro-4-oxo-2-thiazolyl)amino)benzoic acid

an AMP-activated kinase agonist; structure in first source

CAS Number331002-70-1
PubChem CID135547730
IUPAC Name2-chloro-5-[[5-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Molecular FormulaC23H16ClN3O6S
Molecular Weight497.9
XLogP5.5
Topological Polar Surface Area163
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity892
SMILES
CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=NC4=CC(=C(C=C4)Cl)C(=O)O)S3
InChI
InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)
InChIKey
RTHRCOIONCZINZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-((5-((5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl)methylene)-4,5-dihydro-4-oxo-2-thiazolyl)amino)benzoic acid
CAS: 331002-70-1
CID: 135547730
Formula: C23H16ClN3O6S
MW: 497.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.9
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass497.0448341
Monoisotopic Mass497.0448341
Topological Polar Surface Area163 Ų
Heavy Atom Count34
Formal Charge0
Complexity892
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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