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Chemical structure of ARN 077 (enantiomer)

GC62848

ARN 077 (enantiomer)

Also known as 5-phenylpentyl N-[(2R,3S)-2-methyl-4-oxooxetan-3-yl]carbamate

ARN 077 enantiomer (19) is the less active enantiomer of ARN 077, with an IC50 of 3·53 μM for rat NAAA

ChemicalCAS1439366-88-7MW291.34FormulaC16H21NO4
CAS number
1439366-88-7
Molecular weight
291.34
Formula
C16H21NO4
Solubility
DMSO ： 100 mg/mL (343·24 mM; Need ultrasonic)
InChIKey
PTVDTLVLQXSSEC-OCCSQVGLSA-N
Catalogue number
GC62848
Brand
GLPBIO
Computed properties PubChem CID 73294306 · XLogP 3.3 · TPSA 64.6 Ų · H-bond donors 1
XLogP
3.3
TPSA
64.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
21

SMILES C[C@@H]1[C@@H](C(=O)O1)NC(=O)OCCCCCC2=CC=CC=C2

Computed descriptors from PubChem (CID 73294306), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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