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Opabactin

CAT: 0931-T88130-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88130-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2407423-32-7
Target
Proton pump, Others
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
Opabactin is an agonist of abscisic acid (ABA) receptors, modulating plant water use by mimicking the effects of ABA with an IC50 of 7 nM. It inhibits Arabidopsis seed germination with an IC50 of 62 nM. Opabactin also induces antitranspirant responses in plant tissues, enhancing drought resistance in crops.
Smiles
N#CC=1C(=CC(=CC1C2CC2)CC(=O)NC3(C(=O)O)CCCCC3)C4CC4
Molecular Formula
C22H26N2O3
Molecular Weight
366.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Opabactin
CAS Number2407423-32-7
PubChem CID153387629
IUPAC Name1-[[2-(4-cyano-3,5-dicyclopropylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
Molecular FormulaC22H26N2O3
Molecular Weight366.5
XLogP3.9
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity615
SMILES
C1CCC(CC1)(C(=O)O)NC(=O)CC2=CC(=C(C(=C2)C3CC3)C#N)C4CC4
InChI
InChI=1S/C22H26N2O3/c23-13-19-17(15-4-5-15)10-14(11-18(19)16-6-7-16)12-20(25)24-22(21(26)27)8-2-1-3-9-22/h10-11,15-16H,1-9,12H2,(H,24,25)(H,26,27)
InChIKey
BXNCXSHIFJDMRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Opabactin
CAS: 2407423-32-7
CID: 153387629
Formula: C22H26N2O3
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass366.19434270
Monoisotopic Mass366.19434270
Topological Polar Surface Area90.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity615
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
HY-162467Opabactin

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