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2-APQC

CAT: 0013-GTR19236371-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236371-01Size:1 mg
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Description
2-APQC is an orally active, selective SIRT3 agonist (Kd=2.756 μM) that promotes mitochondrial homeostasis. It has demonstrated efficacy in reducing myocardial hypertrophy and fibrosis in both in vivo and in vitro models, making it a valuable tool for studying heart failure and related cardiometabolic diseases.
CAS Number
500271-63-6
Field of Research
Epigenetics & Chromatin, Molecular Biology
Purity
99.88% (May vary between batches)
Solubility
DMSO:40 mg/mL (98.65 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:2 mg/mL (4.93 mM)
Smiles
O=C (NCCCCC) C=1C=2N=C3C=CC=CC3=NC2N (C1N) CC4=CC=C (F) C=C4
Molecular Formula
C23H24FN5O
Molecular Weight
405.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-amino-1-(4-fluorobenzyl)-N-pentyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CAS Number500271-63-6
PubChem CID1965265
IUPAC Name2-amino-1-[(4-fluorophenyl)methyl]-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
Molecular FormulaC23H24FN5O
Molecular Weight405.5
XLogP4.7
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity570
SMILES
CCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)F)N
InChI
InChI=1S/C23H24FN5O/c1-2-3-6-13-26-23(30)19-20-22(28-18-8-5-4-7-17(18)27-20)29(21(19)25)14-15-9-11-16(24)12-10-15/h4-5,7-12H,2-3,6,13-14,25H2,1H3,(H,26,30)
InChIKey
FYNPHMNXVLLDAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-amino-1-(4-fluorobenzyl)-N-pentyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CAS: 500271-63-6
CID: 1965265
Formula: C23H24FN5O
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass405.19648857
Monoisotopic Mass405.19648857
Topological Polar Surface Area85.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity570
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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