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Apoptosis
AP-III-a4 (ENOblock) - 96%, high purity , CAS No.1177827-73-4

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AP-III-a4 (ENOblock) - 96%, high purity , CAS No.1177827-73-4

COA

Grade & Purity:

≥96%

Cas Number: 1177827-73-4
Molecular Weight: 594.72
PubChem CID: 24012277
PubChem SID: 504769732

In stock

Item Number

A418547

Grouped product items
SKU	Size	Availability	Price
A418547-5mg	5mg	3	$206.90
A418547-25mg	25mg	3	$672.90
A418547-100mg	100mg	3	$2,422.90

View related series

Apoptosis (4276) Enolase (8) Glucose Metabolism (1943) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	(Z)-N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-2-(4-(((4E,6Z)-4-((cyclohexylmethyl)imino)-6-((4-fluorobenzyl)imino)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)amino)phenyl)acetimidic acid
Specifications & Purity	≥96%
Biochemical and Physiological Mechanisms	ENOblock(AP-III-a4) is a novel small molecule which is the first, nonsubstrate analogue that directly binds to enolase and inhibits its activity (IC50=0.576 uM); inhibit cancer cell metastasis in vivo. IC50 value: 0.576 uM [1] Target: enolase Enolase is a
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	AP-III-a4 (ENOblock) is the first nonsubstrate analogue inhibitor of enolase with IC50 of 0.576 μM.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Triazines
    - Subclass Aminotriazines
      - Level5 N-aliphatic s-triazines
        Level6 2-benzylamino-s-triazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Triazines
Subclass	Aminotriazines
Intermediate Tree Nodes	N-aliphatic s-triazines
Direct Parent	2-benzylamino-s-triazines
Alternative Parents	Phenylacetamides Aniline and substituted anilines Benzylamines Fluorobenzenes 1,3,5-triazines Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Dialkyl ethers Organofluorides Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-benzylamino-s-triazine - Phenylacetamide - Benzylamine - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Primary amine - Primary aliphatic amine - Organohalogen compound - Organofluoride - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-benzylamino-s-triazines. These are aromatic heterocyclic compounds containing a S-triazine ring, which is N-substituted at the 2-position with a benzylamine.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ENO1 Tchem Alpha-enolase (1 Activities)

Discover Target: ENO1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ENO1 Tchem Alpha enolase (27 Activities)

Discover Target: ENO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504769732
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769732
IUPAC Name	N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclohexylmethylamino)-6-[(4-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
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
Smiles	C1CCC(CC1)CNC2=NC(=NC(=N2)NCC3=CC=C(C=C3)F)NC4=CC=C(C=C4)CC(=O)NCCOCCOCCN
Isomeric SMILES	C1CCC(CC1)CNC2=NC(=NC(=N2)NCC3=CC=C(C=C3)F)NC4=CC=C(C=C4)CC(=O)NCCOCCOCCN
Molecular Weight	594.72
Reaxy-Rn	28047597
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28047597&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
K2223168	Certificate of Analysis	Jul 27, 2022	A418547
K2223124	Certificate of Analysis	Jul 27, 2022	A418547
K2223154	Certificate of Analysis	Jul 27, 2022	A418547
B2518101	Certificate of Analysis	Jul 27, 2022	A418547

Chemical and Physical Properties

Solubility	DMSO : 62.5 mg/mL (105.09 mM; ultrasonic and warming and heat to 60°C)
Sensitivity	Light sensitive
Molecular Weight	594.700 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	18
Exact Mass	594.344 Da
Monoisotopic Mass	594.344 Da
Topological Polar Surface Area	148.000 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	749.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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