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AZ PFKFB3 26

CAT: 0804-HY-101971-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101971-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZ PFKFB3 26 is a potent and selective PFKFB3 inhibitor with an IC50 of 23 nM. AZ PFKFB3 26 inhibits PFKFB1 and PFKFB2 with IC50s of 2.06 and 0.384 μM, respectively. AZ PFKFB3 26 can be used in the study of non-small cell lung cancer[1].
CAS Number
1704740-52-2
UNSPSC
12352005
Target
Autophagy
Type
Reference compound
Related Pathways
Autophagy
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/az-pfkfb3-26.html
Purity
99.23
Solubility
DMSO : 5 mg/mL (ultrasonic; adjust pH to 3 with HCl)
Smiles
O=C([C@H]1NCCC1)NC2=CC=C(OC3=CC4=C(N(CC(C)C)C=C4C#N)C=C3)C=C2
Molecular Formula
C24H26N4O2
Molecular Weight
402.49
References & Citations
[1]Boyd S, et al. Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase PFKFB3. J Med Chem. 2015 Apr 23;58 (8) :3611-25.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

AZ Pfkfb3 26
CAS Number1704740-52-2
PubChem CID118735769
IUPAC Name(2S)-N-[4-[3-cyano-1-(2-methylpropyl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
Molecular FormulaC24H26N4O2
Molecular Weight402.5
XLogP3.8
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity636
SMILES
CC(C)CN1C=C(C2=C1C=CC(=C2)OC3=CC=C(C=C3)NC(=O)[C@@H]4CCCN4)C#N
InChI
InChI=1S/C24H26N4O2/c1-16(2)14-28-15-17(13-25)21-12-20(9-10-23(21)28)30-19-7-5-18(6-8-19)27-24(29)22-4-3-11-26-22/h5-10,12,15-16,22,26H,3-4,11,14H2,1-2H3,(H,27,29)/t22-/m0/s1
InChIKey
OOGHGWKBJXQNEJ-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of AZ Pfkfb3 26
CAS: 1704740-52-2
CID: 118735769
Formula: C24H26N4O2
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass402.20557608
Monoisotopic Mass402.20557608
Topological Polar Surface Area79.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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