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Pyrinuron

CAT: 0013-GTR19216064-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19216064-03Size:1 g
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Description
Pyrinuron is an inhibitor of NAMPT and NMNAT2.Pyrinuron is used as a model compound in studies of urea derivatives and their reactivity.Research has explored the effects of this compound on insulin-producing beta cells, providing insights into diabetes mechanisms.Although not used therapeutically, this compound’s ability to selectively destroy beta cells has implications for understanding and potentially treating type 1 diabetes.
CAS Number
53558-25-1
Purity
>98%
Smiles
O=C (NCC1=CC=CN=C1) NC2=CC=C ([N+] ([O-]) =O) C=C2
Molecular Formula
C13H12N4O3
Molecular Weight
272.264
Notes
For research use only.

Chemical Information

Pyrinuron

Pyriminil is a yellow, resembling corn meal. Used as a single-dose, acute rodenticide. Not registered as a pesticide in the U.S. (EPA, 1998)

CAS Number53558-25-1
PubChem CID40813
IUPAC Name1-(4-nitrophenyl)-3-(pyridin-3-ylmethyl)urea
Molecular FormulaC13H12N4O3
Molecular Weight272.26
XLogP1.2
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity337
SMILES
C1=CC(=CN=C1)CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N4O3/c18-13(15-9-10-2-1-7-14-8-10)16-11-3-5-12(6-4-11)17(19)20/h1-8H,9H2,(H2,15,16,18)
InChIKey
CLKZWXHKFXZIMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrinuron
CAS: 53558-25-1
CID: 40813
Formula: C13H12N4O3
MW: 272.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.26
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass272.09094026
Monoisotopic Mass272.09094026
Topological Polar Surface Area99.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity337
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

Alternative Products

CatalogName
341366Pyrinuron
RG-A260774-01Pyrinuron (controlled substance)

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