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Chemical structure of ROS-generating agent 1

GC73225

ROS-generating agent 1

Also known as (3E,5E)-3,5-bis[[3-(trifluoromethyl)phenyl]methylidene]piperidin-4-one

ROS-generating agent 1 (Compound 2c) covalently modifies the Sec-498 residue of TrxR to generate ROS

ChemicalCAS2369030-41-9MW411.34FormulaC21H15F6NO
CAS number
2369030-41-9
Molecular weight
411.34
Formula
C21H15F6NO
Solubility
DMSO ： 33·33 mg/mL (81·03 mM; Need ultrasonic)
InChIKey
TYFLQYACVDKVSI-BGPOSVGRSA-N
Catalogue number
GC73225
Brand
GLPBIO
Computed properties PubChem CID 168429727 · XLogP 4.9 · TPSA 29.1 Ų · H-bond donors 1
XLogP
4.9
TPSA
29.1 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
29

SMILES C\1NC/C(=C\C2=CC(=CC=C2)C(F)(F)F)/C(=O)/C1=C/C3=CC(=CC=C3)C(F)(F)F

Computed descriptors from PubChem (CID 168429727), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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