ChemicalBook--->CAS DataBase List--->1158838-45-9

1158838-45-9

1158838-45-9 Structure

1158838-45-9 Structure
IdentificationBack Directory
[Name]

Aurora A Inhibitor I
[CAS]

1158838-45-9
[Synonyms]

Aurora A-IN-10
Aurora A Inhibitor I
Aurora A Inhibitor I USP/EP/BP
TC-S 7010 (Aurora A Inhibitor I)
Aurora-A Inhibitor I >=98% (HPLC)
N-(2-Chlorophenyl)-4-((2-((4-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)-phenyl)amino)-5-fluoropyri
N-(2-Chlorophenyl)-4-((2-((4-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)-phenyl)amino)-5-fluoropyrimid
N-(2-Chlorophenyl)-4-(2-(4-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)phenylamino)-5-fluoropyrimidin-4-ylamino)benzamide
N-(2-Chlorophenyl)-4-[[2-[[4-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]phenyl]amino]-5-fluoro-4-pyrimidinyl]amino]benzamide
BenzaMide, N-(2-chlorophenyl)-4-[[2-[[4-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]phenyl]aMino]-5-fluoro-4-pyriMidinyl]aMino]-
[Molecular Formula]

C31H31ClFN7O2
[MDL Number]

MFCD16495816
[MOL File]

1158838-45-9.mol
[Molecular Weight]

588.075
Chemical PropertiesBack Directory
[density ]

1.362
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble10mg/mL, clear
[form ]

powder
[color ]

white to beige
[InChIKey]

AKSIZPIFQAYJGF-UHFFFAOYSA-N
[SMILES]

Fc1c(nc(nc1)Nc4ccc(cc4)CC(=O)N5CCN(CC5)CC)Nc2ccc(cc2)C(=O)Nc3c(cccc3)Cl
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

TC-S 7010 is a selective Aurora A inhibitor.
[Definition]

ChEBI: N-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]anilino]-5-fluoro-4-pyrimidinyl]amino]benzamide is a member of benzamides.
[Biological Activity]

aurora a inhibitor i is a novel, potent, and selective inhibitor of aurora a .aurora kinases are reported to be required for mitosis and to complete cell division. because of this, aurora kinase inhibitors have been investigated extensively as potential anticancer therapeutic agents. the two major aurora kinases (aurora a and aurora b) are closely related in kinase domain sequence (71% identical).
[in vitro]

aurora a inhibitor i was tested against wild-type kinase and two mutants (aurora a (t217e) and aurora b (e161t)). the inhibitory potencies of aurora a inhibitor i was strongly affected by the single amino acid substitutions. for either aurora kinase, the presence of threonine allowed potent inhibition, while for glutamic acid variants, there was a approximately 100-fold shift in ic50, which supported the “gating” role for this residue. the aurora b binding pocket was enlarged by the e161t mutation, while the pocket in aurora a was closed by the t217e mutation. aurora a inhibitor i was exceptionally selective aurora a inhibitors, as shown by no inhibition on aurora b or cdks was observed in cellular assays [1].
[IC 50]

3.4 nm.
[storage]

Store at +4°C
[References]

[1] aliagas-martin i,burdick d,corson l,dotson j,drummond j,fields c,huang ow,hunsaker t,kleinheinz t,krueger e,liang j,moffat j,phillips g,pulk r,rawson te,ultsch m,walker l,wiesmann c,zhang b,zhu by,cochran ag. a class of 2,4-bisanilinopyrimidine aurora a inhibitors with unusually high selectivity against aurora b. j med chem.2009 may 28;52(10):3300-7.
Spectrum DetailBack Directory
[Spectrum Detail]

Aurora A Inhibitor I(1158838-45-9)1HNMR
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