MedKoo Cat#: 406376 Name: INH-13 CAS#: 1016971-82-6 Chemical Formula: C28H31N7O4 Exact Mass: 529.24375 Molecular Weight: 529.59 Elemental Analysis: C, 63.50; H, 5.90; N, 18.51; O, 12.08

Synonym: INH13; INH 13; INH-13.

IUPAC/Chemical Name: N-(5-((7-(2-hydroxy-3-(piperidin-1-yl)propoxy)-6-methoxyquinazolin-4-yl)amino)pyrimidin-2-yl)benzamide

InChi Key: WHHFZOIADLFZRX-UHFFFAOYSA-N

InChi Code: InChI=1S/C28H31N7O4/c1-38-24-12-22-23(13-25(24)39-17-21(36)16-35-10-6-3-7-11-35)31-18-32-26(22)33-20-14-29-28(30-15-20)34-27(37)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,18,21,36H,3,6-7,10-11,16-17H2,1H3,(H,31,32,33)(H,29,30,34,37)

SMILES Code: O=C(NC1=NC=C(NC2=C3C=C(OC)C(OCC(O)CN4CCCCC4)=CC3=NC=N2)C=N1)C5=CC=CC=C5

Technical Data

Appearance: white solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

Harmonized System Code: 293490

Additional Information

References

1. Jayashankar, L.; Syama Sundar, B.. Quantitative structure activity relationship for the computational prediction of Aurora-​B inhibitors. From Journal of Pharmaceutical Sciences and Research (2010), 2(4), 272-277.