3PO - ≥99% , CAS No.18550-98-6

CAS: 18550-98-6 Cat. No.: P413799 Molecular Weight: 210.23 PubChem CID: 5720233
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
THALICARPINE [MI] | 2-Propen-1-one, 3-(3-pyridinyl)-1-(4-pyridinyl)- | BCP34641 | s7639 | SCHEMBL196639 | CHEBI:144367 | BDBM50445948 | AS-55969 | NCGC00386709-03 | (E)-3PO | (E)-3-(Pyridin-3-yl)-1-(pyridin-4-yl)prop-2-en-1-one | (E)-3-pyridin-3-yl-1-pyri
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Status
Price
Qty
5mg
P413799-5mg
3
$101.90
25mg
P413799-25mg
3
$254.90
50mg
P413799-50mg
3
$444.90
100mg
P413799-100mg
2
$683.90
250mg
P413799-250mg
2
$1,468.90
500mg
P413799-500mg
2
$2,224.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Information

3PO 3PO (3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one) is a small-molecule inhibitor of PFKFB3 with an IC50 of 22.9 μM for recombinant human PFKFB3 protein and does not inhibit PFK-1 activity. It suppresses glucose uptake, and decreases the intracellular concentration of Fru-2,6-BP, lactate, ATP, NAD+, and NADH.


Targets

PFKFB3 22.9 μM


In vitro

3PO is an inhibitor of the PFKFB3 isozyme primarily through competition with Fru-6-P and does not inhibit purified PFK-1 activity. 3PO markedly attenuates the proliferation of several human malignant hematopoietic and adenocarcinoma cell lines (IC50, 1.4-24 μmol/L) and is selectively cytostatic to ras-transformed human bronchial epithelial cells relative to normal human bronchial epithelial cells. 3PO can cause G2-M phase arrest.


In vivo

i.p. administration of 3PO (0.07 mg/g) to tumor-bearing mice markedly reduces the intracellular concentration of Fru-2,6-BP, glucose uptake, and growth of established tumors in vivo. It suppresses tumorigenic growth of breast adenocarcinoma, leukemia, and lung adenocarcinoma cells in vivo. The PK properties of 3PO are examined in C57Bl/6 mice intravenously administered 3PO: clearance CL=2312 mL/min/kg, T1/2=0.3 hr, Cmax=113 ng/ml, AUC0-inf=36 ng/hr/ml. 3PO is reported to have potent activity against a highly relevant mouse model of leukemia.


Cell Research(from reference)

Cell lines:Jurkat cells 

Concentrations:10 μmol/L 

Incubation Time:0, 4, 8, 16, 24, or 36 h 

Specifications

Synonyms
THALICARPINE [MI] | 2-Propen-1-one, 3-(3-pyridinyl)-1-(4-pyridinyl)- | BCP34641 | s7639 | SCHEMBL196639 | CHEBI:144367 | BDBM50445948 | AS-55969 | NCGC00386709-03 | (E)-3PO | (E)-3-(Pyridin-3-yl)-1-(pyridin-4-yl)prop-2-en-1-one | (E)-3-pyridin-3-yl-1-pyri
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
3PO (3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one) is a small-molecule inhibitor of PFKFB3 with an IC50 of 22.9 μM for recombinant human PFKFB3 protein and does not inhibit PFK-1 activity. It suppresses glucose uptake, and decreases the intracellular co
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Pubchem Sid504763952
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504763952
Canonical SmilesC1=CC(=CN=C1)C=CC(=O)C2=CC=NC=C2
IUPAC Name(E)-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
InChIKeyUOWGYMNWMDNSTL-ONEGZZNKSA-N
INCHI1S/C13H10N2O/c16-13(12-5-8-14-9-6-12)4-3-11-2-1-7-15-10-11/h1-10H/b4-3+
Isomeric SMILES C1=CC(=CN=C1)/C=C/C(=O)C2=CC=NC=C2
PubChem CID 5720233
Molecular Weight 210.23

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentAryl ketones
Alternative Parents Pyridines and derivatives  Heteroaromatic compounds  Enones  Acryloyl compounds  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aryl ketone - Pyridine - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Jurkat (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PFKFB3 Tchem 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (1469 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EA.hy 926 (491 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

7 results found

Lot NumberCertificate TypeDateItem
K2211756Certificate of AnalysisAug 12, 2025 P413799
K2211757Certificate of AnalysisAug 12, 2025 P413799
K2211814Certificate of AnalysisAug 12, 2025 P413799
K2211897Certificate of AnalysisAug 12, 2025 P413799
K2211909Certificate of AnalysisAug 12, 2025 P413799
K2211935Certificate of AnalysisAug 12, 2025 P413799
L2418200Certificate of AnalysisAug 08, 2022 P413799
Chemical and Physical Properties
SolubilitySolubility (25°C) In vitro DMSO: 42 mg/mL (199.78 mM); Ethanol: 42 mg/mL (199.78 mM); Water: Insoluble;
Molecular Weight210.230 g/mol
XLogP31.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass210.079 Da
Monoisotopic Mass210.079 Da
Topological Polar Surface Area42.900 Ų
Heavy Atom Count16
Formal Charge0
Complexity257.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
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