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PCNA-I1

CAT: 1568-C10161-02Size: 10 mM / 1 mLDry Ice: NoHazardous: No
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CAT#:1568-C10161-02Size:10 mM / 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
444930-42-1
SKU
C10161-5mg
Target
DNA/RNA Synthesis
Applications
Cell Cycle
Smiles
CC1=C (SC=C1) C (=O) N\N=C\C2=C (O) C3=CC=CC=C3C=C2
Molecular Formula
C17H14N2O2S
Additionnal Information
PCNA-I1 is a selective inhibitor of proliferating cell nuclear antigen (PCNA, a potential anticancer target) . PCNA-I1 selectively binds to PCNA trimers with Kd of ~0.2 to 0.4 μM. PCNA-I1 inhibits the growth of tumor cells of various tissue types with IC50 of ~0.2 μM. PCNA-I1 induces DNA damage and apoptosis in both LNCaP and PC-3 cells. PCNA-I1 also induces autophagy in PC-3 cells.
Storage Conditions
3 years -20°C powder

Chemical Information

Pcna-I1
CAS Number444930-42-1
PubChem CID135533619
IUPAC NameN-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylthiophene-2-carboxamide
Molecular FormulaC17H14N2O2S
Molecular Weight310.4
XLogP4.1
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity429
SMILES
CC1=C(SC=C1)C(=O)N/N=C/C2=C(C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C17H14N2O2S/c1-11-8-9-22-16(11)17(21)19-18-10-13-7-6-12-4-2-3-5-14(12)15(13)20/h2-10,20H,1H3,(H,19,21)/b18-10+
InChIKey
NZWTWRNHYZNWNW-VCHYOVAHSA-N
Chemical Structure
2D Structure
2D structure of Pcna-I1
CAS: 444930-42-1
CID: 135533619
Formula: C17H14N2O2S
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass310.07759887
Monoisotopic Mass310.07759887
Topological Polar Surface Area89.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity429
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

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