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Nrf2-IN-1

CAT: 0013-GTR19177523-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177523-02Size:2 mg
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Description
Nrf2-IN-1 is a small molecule inhibitor of the transcription factor Nrf2, developed for research into acute myeloid leukemia (AML) . It is utilized in both in vitro and in vivo experimental models to investigate the role of Nrf2 signaling in cancer cell proliferation and chemoresistance.
CAS Number
1610022-76-8
Product Name Alternative
AML, Acute, Keap1-Nrf2, Nrf2, Nrf2 IN 1, Nrf2IN1, Nrf-2-IN-1, Nrf2-IN-1, inhibit, myeloid, leukemia, Inhibitor
Field of Research
Immunology & Inflammation
Purity
95.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (13.03 mM) ; DMSO:260 mg/mL (677.31 mM)
Smiles
CC (C) (C) c1ccc (Cn2nc (cc2C (=O) NO) -c2ccc (Cl) cc2) cc1
Molecular Formula
C21H22ClN3O2
Molecular Weight
383.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nrf2-IN-1
CAS Number1610022-76-8
PubChem CID76900951
IUPAC Name1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-N-hydroxypyrazole-5-carboxamide
Molecular FormulaC21H22ClN3O2
Molecular Weight383.9
XLogP4.9
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity494
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NO
InChI
InChI=1S/C21H22ClN3O2/c1-21(2,3)16-8-4-14(5-9-16)13-25-19(20(26)24-27)12-18(23-25)15-6-10-17(22)11-7-15/h4-12,27H,13H2,1-3H3,(H,24,26)
InChIKey
ZFDMUUNGVLREEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nrf2-IN-1
CAS: 1610022-76-8
CID: 76900951
Formula: C21H22ClN3O2
MW: 383.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.9
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass383.1400546
Monoisotopic Mass383.1400546
Topological Polar Surface Area67.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A12561-100Nrf2-IN-1 100mg
A12561-10Nrf2-IN-1 10mg
A12561-5Nrf2-IN-1 5mg
A12561-500Nrf2-IN-1 500mg
A12561-50Nrf2-IN-1 50mg
A12561-25Nrf2-IN-1 25mg

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