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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

COA COA
In stock
Item Number
A129933
Grouped product items
SKU Size
Availability
 Price Qty
A129933-5mg
5mg
2
$90.90
A129933-10mg
10mg
2
$155.90
A129933-25mg
25mg
2
$351.90
A129933-50mg
50mg
2
$508.90
A129933-100mg
100mg
2
$939.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Potent and selective Aurora kinase A inhibitor

View related series
Apoptosis (4276) Aurora Kinase (63) aurora kinase A Inhibitor (36) aurora kinase B Inhibitor (34) Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Epigenetics (1496) Histone Modification (1379)

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
This product requires cold chain shipping. Ground and other economy services are not available.
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Anilides
Intermediate Tree Nodes Aromatic anilides
Direct Parent Benzanilides
Alternative Parents Phenylacetamides  Benzamides  Benzoyl derivatives  Aniline and substituted anilines  Chlorobenzenes  Halopyrimidines  N-alkylpiperazines  Aminopyrimidines and derivatives  Aryl chlorides  Imidolactams  Aryl fluorides  Heteroaromatic compounds  Tertiary carboxylic acid amides  Secondary carboxylic acid amides  Trialkylamines  Amino acids and derivatives  Azacyclic compounds  Secondary amines  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organofluorides  Organopnictogen compounds  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Benzanilide - Phenylacetamide - Benzoic acid or derivatives - Benzamide - Benzoyl - Aniline or substituted anilines - Halobenzene - Halopyrimidine - Aminopyrimidine - Chlorobenzene - N-alkylpiperazine - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Pyrimidine - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Azacycle - Amine - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors Not available

Associated Targets(Human)

AURKA Tchem Aurora kinase A (3 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
AURKB Tchem Aurora kinase B (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
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)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HT-29 (80576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 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
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TPX2 Tbio Targeting protein for Xklp2 (6 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H82 (178 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KCL-22 (265 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
SARS-CoV-2 (38078 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

Pubchem Sid 504770280
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504770280
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)
InChIKey AKSIZPIFQAYJGF-UHFFFAOYSA-N
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
Molecular Weight 588.07
Reaxy-Rn 19963522
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19963522&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.

5 results found

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

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 58.81, Max Conc. mM: 100
Molecular Weight 588.100 g/mol
XLogP3 5.100
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 9
Exact Mass 587.221 Da
Monoisotopic Mass 587.221 Da
Topological Polar Surface Area 102.000 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 862.000
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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