SML0882

Aurora-A Inhibitor I

≥98% (HPLC)

• Synonym(s): TC‐S7010, 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
• Empirical Formula (Hill Notation): C₃₁H₃₁ClFN₇O₂
• CAS Number: 1158838-45-9
• Molecular Weight: 588.07
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 10 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: Fc1c(nc(nc1)Nc4ccc(cc4)CC(=O)N5CCN(CC5)CC)Nc2ccc(cc2)C(=O)Nc3c(cccc3)Cl
• 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

Description

Application

Aurora-A Inhibitor I has been used to study its effect on cell viability of human megakaryoblastic cell line (SET-2) and human erythroleukemia cell line (HEL) by methylthiazoletetrazolium (MTT) assay.

Biochem/physiol Actions

Aurora-A Inhibitor I is a potent inhibitor of Aurora kinase A with an IC₅₀ of 3.4 nM and 1000-fold selectivity for Aurora A over Aurora B (better than VX-680) and even higher for CDKs. Antiproliferative IC₅₀ values were in the vicinity of 1 μM against the human colorectal cancer cell line HCT116.

Aurora-A Inhibitor I is a potent inhibitor of Aurora kinase A.

Aurora-A Inhibitor I, also known as TC‐S7010, stimulates G2/M cell cycle arrest and apoptosis in ARID1A −/− cells.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable