Pinafide

CAT: 0931-T69117-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T69117-02Size:50 mg

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CAS Number

54824-20-3

Target

Others

Related Pathways

Others

Bioactivity

Pinafide is a rodenticide and anti-protozoal agent. Pinafide shows strong cytostatic activity against both HeLa and KB cells and is moderately toxic to both mice and rats. It has been proved active against experimental tumors and shown to be inhibitor of two DNA viruses. Pinafide blocks cell growth by inhibiting DNA and RNA synthesis. It has been shown to bind to double-helical DNA by intercalation. Pinafide inhibited the activity of M. tuberculosis NAD+-dependent DNA ligase A at concentrations of 50 uM. At the chemical screening was found that pinafide inhibited B-Myb transcriptional activity in luciferase assays. The cross placental-barrier studies showed that 3H-pinafide was present in the 14-day fetuses.

Smiles

O=C1C=2C=3C(C(=O)N1CCN4CCCC4)=CC=CC3C=C(N(=O)=O)C2

Molecular Formula

C18H17N3O4

Molecular Weight

339.35

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Pinafide

Pinafide is a small molecule drug. Pinafide has a monoisotopic molecular weight of 339.12 Da.

CAS Number	54824-20-3
PubChem CID	327045
IUPAC Name	5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
Molecular Formula	C18H17N3O4
Molecular Weight	339.3
XLogP	2.5
Topological Polar Surface Area	86.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	569

SMILES

C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2

InChIKey

GBOQUHPYCRYKGV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54824-20-3

CID: 327045

Formula: C18H17N3O4

MW: 339.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	339.3
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	339.12190603
Monoisotopic Mass	339.12190603
Topological Polar Surface Area	86.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	569
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5811669	Pinafide

Pinafide

Chemical Information

Alternative Products

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