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Chemical structure of Anti-inflammatory agent 38

GC70979

Anti-inflammatory agent 38

Also known as 1-O-[2-[2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]ethoxy]ethyl] 4-O-[(1R,3Z,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.05,7]pentadec-3-enyl] butanedioate

Anti-inflammatory agent 38 (compound 23d) is a potent Nrf2/HO-1 pathway inhibitor, with an IC50 value of 0·38 μM for NO

ChemicalCAS3032633-42-1MW746.82FormulaC36H46N2O13S
CAS number
3032633-42-1
Molecular weight
746.82
Formula
C36H46N2O13S
Solubility
DMSO ： 100 mg/mL (133·90 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
YSEZOFUXSMKMMW-MYFPOKQZSA-N
Catalogue number
GC70979
Brand
GLPBIO
Computed properties PubChem CID 171921323 · XLogP 3.6 · TPSA 223 Ų · H-bond donors 2
XLogP
3.6
TPSA
223 Ų
H-bond donors
2
H-bond acceptors
14
Rotatable bonds
15
Heavy atoms
52

SMILES C[C@H]1C[C@]2([C@H]([C@H]1O)[C@H](C(=C)CC[C@H]3[C@H](C3(C)C)/C=C(\C2=O)/C)OC(=O)CCC(=O)OCCOCCOC4=NO[N+](=C4S(=O)(=O)C5=CC=CC=C5)[O-])O

Computed descriptors from PubChem (CID 171921323), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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