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Pendimethalin

CAT: 0804-HY-B0862-03Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0862-03Size:500 mg
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Description
Pendimethalin is an orally active herbicide that controls annual grasses and certain broadleaf weeds. Pendimethalin induces Apoptotic cell death through activating ER stress-mediated mitochondrial dysfunction in human umbilical vein endothelial cells[1][2][3][4].
CAS Number
40487-42-1
UNSPSC
12352005
Hazard Statement
H302, H317, H400, H410
Target
Apoptosis; Bcl-2 Family; Caspase; SOD
Type
Reference compound
Related Pathways
Apoptosis; Immunology/Inflammation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pendimethalin.html
Purity
99.88
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=[N+](C1=C(NC(CC)CC)C([N+]([O-])=O)=C(C)C(C)=C1)[O-]
Molecular Formula
C13H19N3O4
Molecular Weight
281.31
Precautions
H302, H317, H400, H410
References & Citations
[1]Martin Kočárek, et al. Effect of adjuvant on pendimethalin and dimethenamid-P behaviour in soil. J Hazard Mater. 2018 Jul 15;354:266-274.|[2]Lee HS, et al. Pendimethalin induces apoptotic cell death through activating ER stress-mediated mitochondrial dysfunction in human umbilical vein endothelial cells. Food Chem Toxicol. 2022 Oct;168:113370.|[3]Ansari SM, et al. Pendimethalin induces oxidative stress, DNA damage, and mitochondrial dysfunction to trigger apoptosis in human lymphocytes and rat bone-marrow cells. Histochem Cell Biol. 2018 Feb;149 (2) :127-141. |[4]Ahmad MI, et al. Pendimethalin-induced oxidative stress, DNA damage and activation of anti-inflammatory and apoptotic markers in male rats. Sci Rep. 2018 Nov 20;8 (1) :17139.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pendimethalin

Pendimethalin is a member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds. It has a role as a herbicide, an agrochemical and an environmental contaminant. It is a C-nitro compound, a substituted aniline and a secondary amino compound.

CAS Number40487-42-1
PubChem CID38479
IUPAC Name3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
Molecular FormulaC13H19N3O4
Molecular Weight281.31
XLogP5.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity349
SMILES
CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
InChI
InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
InChIKey
CHIFOSRWCNZCFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pendimethalin
CAS: 40487-42-1
CID: 38479
Formula: C13H19N3O4
MW: 281.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.31
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass281.13755610
Monoisotopic Mass281.13755610
Topological Polar Surface Area104 Ų
Heavy Atom Count20
Formal Charge0
Complexity349
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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CatalogName
TRC-P221900-1GPendimethalin
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GTR19150910Pendimethalin-KLH conj.
GTR19150816Pendimethalin-BSA conj.
AR-P30600-01Pendimethalin Metabolite M455H025

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