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SCPI-3

CAT: 0804-HY-180500Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-180500Size:1 Each
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Description
SCPI-3 is a potent and competitive mosquito sterol carrier protein-2 (SCP-2) inhibitor (AeSCP-2 IC50 = 0.159 µM; AeSCP-x IC50 = 0.285 µM) . SCPI-3 exhibits physiological effects on cholesterol metabolism in cultured insect cells (IC50 = 3.09 µM in Aag-2 cells) . SCPI-3 shows insecticidal activity against Aedes aegypti with a LD50 of 12.3 µM[1].
CAS Number
349561-46-2
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
O=[N+]([O-])C1=CC2=C(C(OC)=C1)NC(C3=CC=C(Br)C=C3)=NO2
Molecular Formula
C14H10BrN3O4
Molecular Weight
364.15
References & Citations
[1]Kim MS, et al. Identification of mosquito sterol carrier protein-2 inhibitors. J Lipid Res. 2005 Apr;46 (4) :650-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine
CAS Number349561-46-2
PubChem CID4982240
IUPAC Name3-(4-bromophenyl)-5-methoxy-7-nitro-2H-1,2,4-benzoxadiazine
Molecular FormulaC14H10BrN3O4
Molecular Weight364.15
XLogP3.3
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity448
SMILES
COC1=CC(=CC2=C1N=C(NO2)C3=CC=C(C=C3)Br)[N+](=O)[O-]
InChI
InChI=1S/C14H10BrN3O4/c1-21-11-6-10(18(19)20)7-12-13(11)16-14(17-22-12)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,16,17)
InChIKey
SZMXFDAAPGEKDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-bromophenyl)-5-methoxy-7-nitro-4H-1,2,4-benzoxadiazine
CAS: 349561-46-2
CID: 4982240
Formula: C14H10BrN3O4
MW: 364.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.15
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass362.98547
Monoisotopic Mass362.98547
Topological Polar Surface Area88.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity448
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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