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Jarin-1

CAT: 0013-GTR19203740-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203740-02Size:5 mg
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Description
Jarin-1 is a potent and specific inhibitor of jasmonic acid-amido synthetase (JAR1) with an IC50 of 3.8 μM. It effectively suppresses bioactive jasmonate biosynthesis and is a valuable chemical tool for studying JA signaling in plant defense, development, and stress responses using both in vitro enzymatic assays and in vivo plant models like Arabidopsis.
CAS Number
1212704-51-2
Product Name Alternative
Jasmonic acid-amido synthetase (JAR1), Jarin 1, Jarin1, Jarin-1
Purity
99.80% (May vary between batches)
Solubility
DMSO:150 mg/mL (318.1 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.24 mM)
Smiles
[H][C@@]12CN (C[C@@] ([H]) (C1) c1ccc (NC (=O) c3ccc (cc3) -c3ccccc3) c (=O) n1C2) C (=O) CCOC
Molecular Formula
C28H29N3O4
Molecular Weight
471.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jarin-1
CAS Number1212704-51-2
PubChem CID7142742
IUPAC NameN-[(1R,9S)-11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-phenylbenzamide
Molecular FormulaC28H29N3O4
Molecular Weight471.5
XLogP2.6
Topological Polar Surface Area79
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity883
SMILES
COCCC(=O)N1C[C@@H]2C[C@H](C1)C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H29N3O4/c1-35-14-13-26(32)30-16-19-15-23(18-30)25-12-11-24(28(34)31(25)17-19)29-27(33)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-12,19,23H,13-18H2,1H3,(H,29,33)/t19-,23+/m0/s1
InChIKey
LMVUVKIGGHXSJX-WMZHIEFXSA-N
Chemical Structure
2D Structure
2D structure of Jarin-1
CAS: 1212704-51-2
CID: 7142742
Formula: C28H29N3O4
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass471.21580641
Monoisotopic Mass471.21580641
Topological Polar Surface Area79 Ų
Heavy Atom Count35
Formal Charge0
Complexity883
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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