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Aurora A Inhibitor I - ≥98% (HPLC), high purity , CAS No.1158838-45-9, Inhibitor of aurora kinase A;Inhibitor of aurora kinase B

Moligand™

≥98%(HPLC)

CAS#: 1158838-45-9
Formula: C₃₁H₃₁ClFN₇O₂
Molecular Weight: 588.07
PubChem CID: 44139710

Item Number

A129933

Grouped product items
SKU	Size	Availability	Price
A129933-5mg	5mg	In stock	$90.90
A129933-10mg	10mg	In stock	$155.90
A129933-25mg	25mg	In stock	$351.90
A129933-50mg	50mg	In stock	$508.90
A129933-100mg	100mg	In stock	$939.90

Potent and selective Aurora kinase A inhibitor

View related series

aurora kinase A Inhibitor aurora kinase B Inhibitor

Basic Description

Synonyms	CHEBI:91365 \| NCGC00346525-01 \| NCGC00346525-10 \| Aurora Inhibitor, 35 \| BDBM31837 \| Q27076171 \| N-(2-Chlorophenyl)-4-[(2-{4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino}-5-fluoropyrimidin-4-yl)amino]benzamide \| HMS3265L22 \| Aurora A Inhibitor I \| E98883
Specifications & Purity	Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent and selective inhibitor of Aurora kinase A (IC50= 3.4 nM); exhibits 1000-fold selectivity for Aurora kinase A over Aurora kinase B. Displays antiproliferative activity in HCT116 and HT29 cells (IC50values are 0.19 and 2.9μM respectively).
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of aurora kinase A;Inhibitor of aurora kinase B
Product Description	Aurora A Inhibitor I is a novel, potent, and selective inhibitor of Aurora A with IC50 of 3.4 nM in a cell-free assay. It is 1000-fold more selective for Aurora A than Aurora B.

Associated Targets(Human)

AURKA Tchem Aurora kinase A (3 Activities)

Discover Target: AURKA

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

AURKB Tchem Aurora kinase B (1 Activities)

Discover Target: AURKB

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

AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)

Discover Target: AURKB

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

HT-29 (80576 Activities)

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

HCT-116 (91556 Activities)

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

HepG2 (196354 Activities)

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

HeLa (62764 Activities)

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

TPX2 Tbio Targeting protein for Xklp2 (6 Activities)

Discover Target: TPX2

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

NCI-H82 (178 Activities)

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

KCL-22 (265 Activities)

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

SK-N-BE(2) (28 Activities)

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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)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

SARS-CoV-2 (38078 Activities)

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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-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-5-fluoropyrimidin-4-yl]amino]benzamide
INCHI	InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)
InChi Key	AKSIZPIFQAYJGF-UHFFFAOYSA-N
Canonical SMILES	CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5Cl)F
Isomeric SMILES	CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5Cl)F
WGK Germany	3
PubChem CID	44139710
Molecular Weight	588.07

Database links

PubChem CID	44139710
ChEMBL Ligand	CHEMBL502124
CAS Registry No.	1158838-45-9

Certificates

Certificate of Analysis(COA)

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5 results found

Lot Number	Certificate Type	Date	Item
H2223207	Certificate of Analysis	May 31, 2024	A129933
H2223208	Certificate of Analysis	May 31, 2024	A129933
H2223209	Certificate of Analysis	May 31, 2024	A129933
H2223210	Certificate of Analysis	May 31, 2024	A129933
H2223359	Certificate of Analysis	May 31, 2024	A129933

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 58.81, Max Conc. mM: 100

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H302:Harmful if swallowed
Precautionary Statements	P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help.
WGK Germany	3

References

1. Aliagas-Martin I, Burdick D, Corson L, Dotson J, Drummond J, Fields C, Huang OW, Hunsaker T, Kleinheinz T, Krueger E et al.. (2009) A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.. J Med Chem, 52 (10): (3300-7). [PMID:19402633]

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Aurora A Inhibitor I - ≥98% (HPLC), high purity , CAS No.1158838-45-9, Inhibitor of aurora kinase A;Inhibitor of aurora kinase B

Basic Description

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Safety and Hazards(GHS)

Related Documents

References

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator