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DNP-INT

CAT: 0931-T36792-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T36792-02Size:25 mg
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CAS Number
69311-70-2
Target
Others, Cytochromes P450
Related Pathways
Metabolism, Others
Bioactivity
DNP-INT is a quinone analog that inhibits electron transport in plants by competitively inhibiting plastoquinol oxidation by binding at the Qo site of cytochrome b6f (Kd = 1.4 nM) . It inhibits electron flow from water to NADP or methylviologen by 50 and 100% when used at concentrations of 0.5 or 5 μM, respectively.
Smiles
O=N(=O)C1=CC=C(OC2=C(I)C(=C(C=C2C(C)C)N(=O)=O)C)C(=C1)N(=O)=O
Molecular Formula
C16H14IN3O7
Molecular Weight
487.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether

inhibitor of plastoquinol-plastocyanin oxidoreductase complex

CAS Number69311-70-2
PubChem CID129642
IUPAC Name4-(2,4-dinitrophenoxy)-3-iodo-2-methyl-1-nitro-5-propan-2-ylbenzene
Molecular FormulaC16H14IN3O7
Molecular Weight487.20
XLogP5.1
Topological Polar Surface Area147
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity574
SMILES
CC1=C(C=C(C(=C1I)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)C)[N+](=O)[O-]
InChI
InChI=1S/C16H14IN3O7/c1-8(2)11-7-12(19(23)24)9(3)15(17)16(11)27-14-5-4-10(18(21)22)6-13(14)20(25)26/h4-8H,1-3H3
InChIKey
JWEBDWJHYHAROA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether
CAS: 69311-70-2
CID: 129642
Formula: C16H14IN3O7
MW: 487.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight487.20
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass486.98765
Monoisotopic Mass486.98765
Topological Polar Surface Area147 Ų
Heavy Atom Count27
Formal Charge0
Complexity574
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