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BX-912 - ≥97%, high purity , CAS No.702674-56-4, Inhibitor of 3-phosphoinositide dependent protein kinase 1;Inhibitor of checkpoint kinase 1;Inhibitor of cyclin dependent kinase 2;Inhibitor of glycogen synthase kinase 3 beta;Inhibitor of kinase insert domain receptor;Inhibitor of protein kinase A

COA COA
In stock
Item Number
B126138
Grouped product items
SKU Size
Availability
 Price Qty
B126138-5mg
5mg
3
$175.90
B126138-25mg
25mg
3
$792.90
B126138-100mg
100mg
2
$1,057.90
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View related series
3-phosphoinositide dependent protein kinase 1 Inhibitor (7) Apoptosis (4276) checkpoint kinase 1 Inhibitor (17) cyclin dependent kinase 2 Inhibitor (47) glycogen synthase kinase 3 beta Inhibitor (44) kinase insert domain receptor Inhibitor (83) PDK-1 (15) PI3K/Akt/mTOR (765) protein kinase A Inhibitor (10)

Basic Description

Synonyms HY-11005 | N-(3-((4-((2-(1H-imidazol-4-yl)ethyl)amino)-5-bromopyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide;BX-912 | 1-Pyrrolidinecarboxamide, N-(3-((5-bromo-4-((2-(1H-imidazol-4-yl)ethyl)amino)-2-pyrimidinyl)amino)phenyl)- | BCP01898 | HMS3265J23
Specifications & Purity Moligand™, ≥97%
Biochemical and Physiological Mechanisms BX-912 is a PDK-1 inhibitor. BX 912 suppresses growth in a number of cell lines and also induces apoptosis. Cell lines with elevated levels of AKT are >30-fold more sensitive to PDK1 inhibition by BX-912. This compound is a competitive inhibitor of PDK1,
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Inhibitor of 3-phosphoinositide dependent protein kinase 1;Inhibitor of checkpoint kinase 1;Inhibitor of cyclin dependent kinase 2;Inhibitor of glycogen synthase kinase 3 beta;Inhibitor of kinase insert domain receptor;Inhibitor of protein kinase A
Product Description

BX912 is a potent and specific PDK1 inhibitor with IC50 of 12 nM, 9- and 105- fold greater selectivity for PDK1 than PKA and PKC, respectively. In comparison to GSK3β, selectivity for PDK1 is 600-fold.
A potent and selective PDK-1 inhibitor that induces apoptosis

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 Pyrrolidinecarboxamides  Aniline and substituted anilines  Secondary alkylarylamines  Aminopyrimidines and derivatives  Halopyrimidines  Aryl bromides  Imidolactams  Imidazoles  Heteroaromatic compounds  Ureas  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organobromides  Organopnictogen compounds  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents N-phenylurea - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-1-carboxamide - Aniline or substituted anilines - Halopyrimidine - Secondary aliphatic/aromatic amine - Aminopyrimidine - Aryl bromide - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Pyrrolidine - Urea - Carbonic acid derivative - Organoheterocyclic compound - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Aromatic heteromonocyclic 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

Associated Targets(Human)

CDK2 Tchem Cyclin-dependent kinase 2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PRKAR1A Tbio cAMP-dependent protein kinase type I-alpha regulatory subunit (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PRKAR2A Tchem cAMP-dependent protein kinase type II-alpha regulatory subunit (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PRKACB Tchem cAMP-dependent protein kinase catalytic subunit beta (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PRKACG Tchem cAMP-dependent protein kinase catalytic subunit gamma (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
AURKA Tchem Aurora kinase A (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
KDR Tclin Vascular endothelial growth factor receptor 2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CHEK1 Tchem Serine/threonine-protein kinase Chk1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
GSK3B Tclin Glycogen synthase kinase-3 beta (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PRKAR1B Tbio cAMP-dependent protein kinase type I-beta regulatory subunit (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PRKAR2B Tchem cAMP-dependent protein kinase type II-beta regulatory subunit (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PRKACA Tchem cAMP-dependent protein kinase catalytic subunit alpha (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PDPK1 Tchem 3-phosphoinositide-dependent protein kinase 1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MARK3 Tchem Serine/threonine-protein kinase c-TAK1 (2532 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TBK1 Tchem Serine/threonine-protein kinase TBK1 (3746 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MARK4 Tchem MAP/microtubule affinity-regulating kinase 4 (1536 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 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 N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
INCHI InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)
InChIKey DMMILYKXNCVKOJ-UHFFFAOYSA-N
Smiles C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br
Isomeric SMILES C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br
WGK Germany 3
Molecular Weight 471.36
Reaxy-Rn 25497618
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25497618&ln=

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

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

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Lot Number Certificate Type Date Item
A1522080 Certificate of Analysis Jun 03, 2024 B126138

Chemical and Physical Properties

Molecular Weight 471.400 g/mol
XLogP3 2.900
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 470.118 Da
Monoisotopic Mass 470.118 Da
Topological Polar Surface Area 111.000 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 549.000
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

Solution Calculators

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