BIFENAZATE

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Molecule Category Free-form
UNII 24Z9QW0505
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key VHLKTXFWDRXILV-UHFFFAOYSA-N
Smiles COc1ccc(cc1NNC(=O)OC(C)C)c2ccccc2
InChI
InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N2O3
Molecular Weight 300.35
AlogP 3.84
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 59.59
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0
Assay Description Organism Bioactivity Reference
Contact toxicity against Apis mellifera (honey bee) assessed per bee Apis mellifera 1.0 ug
Contact toxicity against Bombus terrestris (bumblebee) assessed per bee Bombus terrestris 100.0 ug
Contact toxicity against Apis mellifera (honey bee) assessed per bee after 48 hr Apis mellifera 8.5 ug
Toxicity against po dosed worker Bombus terrestris (bumblebee) administered through sugar water for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 0.096 mgAi/L Toxicity against po dosed worker Bombus terrestris (bumblebee) administered through sugar water for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 9.6 mgAi/L
Toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 96 mg a.i./l, po administered through sugar water for 11 weeks measured once a week for 11 weeks relative to control Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 30 mg a.i./l, po administered through sugar water for 11 weeks measured once a week for 11 weeks relative to control Bombus terrestris None
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 96 mg a.i./l applied on the dorsal thorax for 11 weeks measured once a week for 11 weeks relative to control Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 96 mg a.i./l, po administered through pollen for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 96 mg a.i./l, po administered through sugar water measured up to 1 week Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 96 mg a.i./l, po administered through sugar water for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 95.0 %
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 96 mg a.i./l applied on the dorsal thorax for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 25.0 %
Resistance ratio of LC50 for bifenazate-resistant Tetranychus urticae (two-spotted spider mite) BEL1 harboring mitochondrial P262T Cytb fixed mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 2780.0
Resistance ratio of LC50 for Tetranychus urticae (two-spotted spider mite) HOL4 harboring mitochondrial G126S Cytb mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 2780.0
Resistance ratio of LC50 for Tetranychus urticae HOL3 (two-spotted spider mite) harboring mitochondrial P262T Cytb heteroplasmic mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 2780.0
Resistance ratio of LC50 for Tetranychus urticae HOL2 (two-spotted spider mite) harboring mitochondrial G126S Cytb mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 12.1
Resistance ratio of LC50 for Tetranychus urticae HOL1 (two-spotted spider mite) harboring mitochondrial G126S and I136T Cytb mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 2780.0
Resistance ratio of LC50 for bifenazate-resistant Tetranychus urticae BR-VL (two-spotted spider mite) harboring mitochondrial G126S, S141F and D161G Cytb mutation to LC50 for Tetranychus urticae GSS Tetranychus urticae 2780.0
Resistance ratio of LC50 for METI-resistant Tetranychus urticae MR-VP (two-spotted spider mite) to LC50 for Tetranychus urticae GSS Tetranychus urticae 2.0
Resistance ratio of LC50 for Tetranychus urticae MR-VL (two-spotted spider mite) to LC50 for Tetranychus urticae GSS Tetranychus urticae 2.9
Resistance ratio of LC50 for Tetranychus urticae WI (two-spotted spider mite) to LC50 for Tetranychus urticae GSS Tetranychus urticae 2.4
Resistance ratio of LC50 for bifenazate-susceptible Tetranychus urticae LS-VL (two-spotted spider mite) to LC50 for Tetranychus urticae GSS Tetranychus urticae 0.4
Toxicity against adult bifenazate-resistant Tetranychus urticae BEL1 (two-spotted spider mite) harboring mitochondrial P262T Cytb fixed mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae HOL4 (two-spotted spider mite) harboring mitochondrial G126S Cytb mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae HOL3 (two-spotted spider mite) harboring mitochondrial P262T Cytb heteroplasmic mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult Tetranychus urticae HOL2 (two-spotted spider mite) harboring mitochondrial G126S Cytb mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 43.4 ug.mL-1
Toxicity against adult Tetranychus urticae HOL1 (two-spotted spider mite) harboring mitochondrial G126S and I136T Cytb mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult bifenazate-resistant Tetranychus urticae BR-VL (two-spotted spider mite) harboring mitochondrial G126S, S141F and D161G Cytb mutation in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10000.0 ug.mL-1
Toxicity against adult METI-resistant Tetranychus urticae MR-VP (two-spotted spider mite) in compound pretreated bean leaves assessed as mortality Tetranychus urticae 7.3 ug.mL-1
Toxicity against adult Tetranychus urticae MR-VL (two-spotted spider mite) in compound pretreated bean leaves assessed as mortality Tetranychus urticae 10.5 ug.mL-1
Toxicity against adult Tetranychus urticae WI (two-spotted spider mite) in compound pretreated bean leaves assessed as mortality Tetranychus urticae 8.7 ug.mL-1
Toxicity against adult bifenazate-susceptible Tetranychus urticae LS-VL (two-spotted spider mite) in compound pretreated bean leaves assessed as mortality Tetranychus urticae 1.6 ug.mL-1
Toxicity against adult Tetranychus urticae GSS (two-spotted spider mite) in compound pretreated bean leaves assessed as mortality Tetranychus urticae 3.6 ug.mL-1
Resistance ratio of LC50 for spirodiclofen-resistant Tetranychus urticae SR-VP (two-spotted spider mite) adults to LC50 for spirodiclofen-susceptible Tetranychus urticae LS-VL (two-spotted spider mite) adults Tetranychus urticae 2.0
Insecticidal activity against spirodiclofen-resistant Tetranychus urticae SR-VP (two-spotted spider mite) adults in kidney bean leaf disks assessed as mortality measured after 2 days Tetranychus urticae 2.4 ug.mL-1
Insecticidal activity against spirodiclofen-susceptible Tetranychus urticae LS-VL (two-spotted spider mite) adults in kidney bean leaf disks assessed as mortality after 2 day Tetranychus urticae 1.2 ug.mL-1
Resistance ratio, LC50 for adult Panonychus ulmi HS to LC50 for adult Panonychus ulmi PSR TK Panonychus ulmi 1.0
Insecticidal activity against Panonychus ulmi PSR-TK in plum tree leaf assessed as mortality at adult stage compound treated by spray application measured after 7 to 8 days treatment Panonychus ulmi 1.3 ug.mL-1
Insecticidal activity against Panonychus ulmi HS in plum tree leaf assessed as mortality at adult stage compound treated by spray application measured after 7 to 8 days treatment Panonychus ulmi 1.42 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL1872845
FDA SRS 24Z9QW0505
PubChem 176879
SureChEMBL SCHEMBL26414
ZINC ZINC02511856
CONTENTS