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PKI-179 - ≥98%, high purity , PI3-kinase p110-alpha subunit inhibitor, CAS No.1197160-28-3, PI3-kinase p110-alpha subunit inhibitor

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
P345208
Grouped product items
SKU Size
Availability
 Price Qty
P345208-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$54.90
P345208-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$189.90
P345208-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$299.90
P345208-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$599.90
P345208-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$949.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

a potent inhibitor against mTOR and PI 3-K

View related series
mTOR (145) PI3K (243) PI3K/Akt/mTOR (765)

Basic Description

Synonyms PKI-179 | 1-{4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]phenyl}-3-pyridin-4-ylurea | BDBM50327419 | 1-[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea | 1-(4-(4-(3
Specifications & Purity ≥98%
Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type INHIBITOR
Mechanism of action PI3-kinase p110-alpha subunit inhibitor
Product Description

PKI-179 is a cell-permeable triazinyl-phenyl-pyridinylurea compound that acts as a potent inhibitor against mTOR (IC50 = 0.42 nM) and PI 3-K (IC50 = 8, 24, 74, 77, 14, and 11 nM against isoform α, β, γ, δ, α E545K mutant, and α H1047R mutant, respectively) activities, exhibiting much reduced or little activity against a panel of 361 other kinases (IC50 >50 μM), Cytochrome CYP isoforms, or hERG. PKI-179 is reported to effectively suppress cancer growth in cultures in vitro (IC50 = 22 and 29 nM, respectively, against MDA361 and PC3mm2) via apoptosis induction as a result of Akt/mTOR pathway inhibition.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass N-phenylureas
Intermediate Tree Nodes Not available
Direct Parent N-phenylureas
Alternative Parents Dialkylarylamines  1,3,5-triazine-2,4-diamines  Oxepanes  Pyridines and derivatives  Morpholines  1,3,5-triazines  Pyrrolidines  Heteroaromatic compounds  Ureas  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents N-phenylurea - 2,4-diamine-s-triazine - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Oxepane - Morpholine - Oxazinane - Pyridine - 1,3,5-triazine - Triazine - Heteroaromatic compound - Pyrrolidine - Urea - Azacycle - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors Not available

Product Properties

ALogP 1.9

Associated Targets(Human)

PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PIK3CB Tchem Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
MTOR Tclin Serine/threonine-protein kinase mTOR (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PIK3CB Tchem PI3-kinase p110-beta subunit (4044 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDA-MB-361 (612 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
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

IUPAC Name 1-[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
INCHI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34)
InChIKey WXUUCRLKXQMWRY-UHFFFAOYSA-N
Smiles C1CC2COCC1N2C3=NC(=NC(=N3)N4CCOCC4)C5=CC=C(C=C5)NC(=O)NC6=CC=NC=C6
Isomeric SMILES C1CC2COCC1N2C3=NC(=NC(=N3)N4CCOCC4)C5=CC=C(C=C5)NC(=O)NC6=CC=NC=C6
PubChem CID 46947264
Molecular Weight 488.54

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.

8 results found

Lot Number Certificate Type Date Item
I2413236 Certificate of Analysis Jun 20, 2024 P345208
I2413235 Certificate of Analysis Jun 20, 2024 P345208
I2413231 Certificate of Analysis Jun 20, 2024 P345208
I2413232 Certificate of Analysis Jun 20, 2024 P345208
I2413233 Certificate of Analysis Jun 20, 2024 P345208
I2413234 Certificate of Analysis Jun 20, 2024 P345208
I2413246 Certificate of Analysis Jun 20, 2024 P345208
I2413247 Certificate of Analysis Jun 20, 2024 P345208

Chemical and Physical Properties

Molecular Weight 488.500 g/mol
XLogP3 1.900
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 5
Exact Mass 488.228 Da
Monoisotopic Mass 488.228 Da
Topological Polar Surface Area 118.000 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 714.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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