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3-ATA

CAT: 0931-T71030-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71030-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129821-08-5
Target
Apoptosis, Others, CDK
Related Pathways
Others, Apoptosis, Cell Cycle/Checkpoint
Bioactivity
3-ATA is a selective cyclin-dependent kinase 4 (Cdk4) inhibitor, attenuating kainic acid-induced apoptosis in neurons.
Smiles
S=C1C=2C(NC=3C1=CC=CC3)=CC(N)=CC2
Molecular Formula
C13H10N2S
Molecular Weight
226.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-amino-10H-acridine-9-thione
CAS Number129821-08-5
PubChem CID3620127
IUPAC Name3-amino-10H-acridine-9-thione
Molecular FormulaC13H10N2S
Molecular Weight226.30
XLogP2.9
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity292
SMILES
C1=CC=C2C(=C1)C(=S)C3=C(N2)C=C(C=C3)N
InChI
InChI=1S/C13H10N2S/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13(10)16/h1-7H,14H2,(H,15,16)
InChIKey
LHMSGVQQFOFVAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-amino-10H-acridine-9-thione
CAS: 129821-08-5
CID: 3620127
Formula: C13H10N2S
MW: 226.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.30
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass226.05646950
Monoisotopic Mass226.05646950
Topological Polar Surface Area70.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity292
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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