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ABA receptor agonist 1

CAT: 0804-HY-162466Size: 1 EachDry Ice: NoHazardous: No
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Description
ABA receptor agonist 1 (compound 4c) is a receptor agonist for abscisic acid (ABA) . ABA receptor agonist 1 can inhibit seed germination and seedling growth of Arabidopsis and rice, stomatal closure and drought resistance of wheat and soybean[1].
CAS Number
2981430-43-5
UNSPSC
12352005
Target
Proton Pump
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/aba-receptor-agonist-1.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@H](C(C)C)C(O)=O)CC1=CC(C2CC2)=C(C#N)C(C3CC3)=C1
Molecular Formula
C20H24N2O3
Molecular Weight
340.42
References & Citations
[1]Tang X, et al. Synthesis, Plant Growth Regulatory Activity, and Transcriptome Analysis of Novel Opabactin Analogs. J Agric Food Chem. 2024 Apr 10.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2R)-2-[[2-(4-cyano-3,5-dicyclopropylphenyl)acetyl]amino]-3-methylbutanoic acid
CAS Number2981430-43-5
PubChem CID172653013
IUPAC Name(2R)-2-[[2-(4-cyano-3,5-dicyclopropylphenyl)acetyl]amino]-3-methylbutanoic acid
Molecular FormulaC20H24N2O3
Molecular Weight340.4
XLogP3.6
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity549
SMILES
CC(C)[C@H](C(=O)O)NC(=O)CC1=CC(=C(C(=C1)C2CC2)C#N)C3CC3
InChI
InChI=1S/C20H24N2O3/c1-11(2)19(20(24)25)22-18(23)9-12-7-15(13-3-4-13)17(10-21)16(8-12)14-5-6-14/h7-8,11,13-14,19H,3-6,9H2,1-2H3,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKey
IILLCPIJCURCHJ-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-[[2-(4-cyano-3,5-dicyclopropylphenyl)acetyl]amino]-3-methylbutanoic acid
CAS: 2981430-43-5
CID: 172653013
Formula: C20H24N2O3
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass340.17869263
Monoisotopic Mass340.17869263
Topological Polar Surface Area90.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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