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Chemical structure of KAG-308

GC36379

KAG-308

Also known as (2Z,3aR,4R,5R,6aS)-3,3-difluoro-4-[(E,3R,4R)-3-hydroxy-4-(3-methylphenyl)pent-1-enyl]-2-[4-(2H-tetrazol-5-yl)butylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-5-ol

KAG-308 is a potent selective and orally active agonist of EP4 receptor (a prostaglandin E2 receptor subtype), suppresses colitis and promotes histological mucosal healing, potently inhibits TNF-α production

ChemicalCAS1215192-68-9MW460.52FormulaC24H30F2N4O3
CAS number
1215192-68-9
Molecular weight
460.52
Formula
C24H30F2N4O3
Solubility
DMSO ： 80 mg/mL (173·72 mM; Need ultrasonic); H2O ： < 0·1 mg/mL (insoluble)
InChIKey
KSELABKNBIUMGG-YGBAREPYSA-N
Catalogue number
GC36379
Brand
GLPBIO
Computed properties PubChem CID 67108613 · XLogP 3.5 · TPSA 104 Ų · H-bond donors 3
XLogP
3.5
TPSA
104 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
33

SMILES CC1=CC(=CC=C1)[C@@H](C)[C@@H](/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2C(/C(=C/CCCC4=NNN=N4)/O3)(F)F)O)O

Computed descriptors from PubChem (CID 67108613), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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