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Chemical structure of Jarin-1

GC39294

Jarin-1

Also known as N-[(1R,9S)-11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-phenylbenzamide

Jarin-1 is a jasmonic acid-amido synthetase (JAR1) inhibitor with an IC50 of 3·8 μM

ChemicalCAS1212704-51-2MW471.55FormulaC28H29N3O4
CAS number
1212704-51-2
Molecular weight
471.55
Formula
C28H29N3O4
Solubility
DMSO ： 33·33 mg/mL (70·68 mM; Need ultrasonic)
InChIKey
LMVUVKIGGHXSJX-WMZHIEFXSA-N
Catalogue number
GC39294
Brand
GLPBIO
Computed properties PubChem CID 7142742 · XLogP 2.6 · TPSA 79 Ų · H-bond donors 1
XLogP
2.6
TPSA
79 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
35

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

Computed descriptors from PubChem (CID 7142742), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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