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AP-III-a4

CAT: 0804-HY-15858-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15858-01Size:1 mg
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Description
AP-III-a4 (ENOblock) is a nonsubstrate analogue enolase inhibitor with an IC50 of 0.576 uM. AP-III-a4 can be used for the research of cancer and diabetic[1].
CAS Number
1177827-73-4
Product Name Alternative
ENOblock
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; Enolase
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ap-iii-a4.html
Purity
99.87
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
FC1=CC=C(CNC2=NC(NCC3CCCCC3)=NC(NC4=CC=C(CC(NCCOCCOCCN)=O)C=C4)=N2)C=C1
Molecular Formula
C31H43FN8O3
Molecular Weight
594.72
Precautions
H302, H315, H319, H335
References & Citations
[1]Da-Woon Jung, et al. A Unique Small Molecule Inhibitor of Enolase Clarifies Its Role in Fundamental Biological Processes.ACS Chem. Biol., 2013, 8 (6), pp 1271–1282
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Citation 01
Biomed Pharmacother. 2024 Jun 18:177:116970.|bioRxiv. 2024 October 25.|Cancer Cell. 2024 Aug 12;42 (8) :1386-1400.e8.|Cancer Res. 2025 Nov 21:10.1158/0008-5472.CAN-24-3753.|Cell Discov. 2020 Aug 18;6:56.|Int J Mol Sci. 2025 Apr 13;26 (8) :3677.|Proc Natl Acad Sci U S A. 2025 May 13;122 (19) :e2415089122.|Research Square Print. November 14th, 2022|SSRN. 2023 Feb 10.|Theranostics. 2019 Aug 12;9 (20) :5769-5783.|Cancers (Basel) . 2020 Jan 29;12 (2) :311.|EMBO Mol Med. 2025 Dec;17 (12) :3496-3524.|Gastroenterology. 2024 Jan 24:S0016-5085 (24) 00064-7.

Chemical Information

AP-III-a4
CAS Number1177827-73-4
PubChem CID24012277
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclohexylmethylamino)-6-[(4-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
Molecular FormulaC31H43FN8O3
Molecular Weight594.7
XLogP4.4
Topological Polar Surface Area148
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Heavy Atom Count43
Formal Charge0
Complexity749
SMILES
C1CCC(CC1)CNC2=NC(=NC(=N2)NCC3=CC=C(C=C3)F)NC4=CC=C(C=C4)CC(=O)NCCOCCOCCN
InChI
InChI=1S/C31H43FN8O3/c32-26-10-6-25(7-11-26)22-36-30-38-29(35-21-24-4-2-1-3-5-24)39-31(40-30)37-27-12-8-23(9-13-27)20-28(41)34-15-17-43-19-18-42-16-14-33/h6-13,24H,1-5,14-22,33H2,(H,34,41)(H3,35,36,37,38,39,40)
InChIKey
MOVYITHKOHMLHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AP-III-a4
CAS: 1177827-73-4
CID: 24012277
Formula: C31H43FN8O3
MW: 594.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.7
XLogP34.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass594.34421543
Monoisotopic Mass594.34421543
Topological Polar Surface Area148 Ų
Heavy Atom Count43
Formal Charge0
Complexity749
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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Alternative Products

CatalogName
GTR19168107-01AP-III-a4
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