MedKoo Cat#: 406661
Name: CAL-130
CAS#: 1431697-74-3 (free base); 1431697-78-7 (HCl).
Chemical Formula: C23H22N8O
Exact Mass: 426.19166
Molecular Weight: 426.48
Elemental Analysis: C, 64.77; H, 5.20; N, 26.27; O, 3.75
Synonym: CAL130; CAL 130; CAL-130.
IUPAC/Chemical Name: (S)-2-(1-((2-amino-7H-purin-6-yl)amino)ethyl)-5-methyl-3-(o-tolyl)quinazolin-4(3H)-one
InChi Key: PUYVJBBSBPUKBT-AWEZNQCLSA-N
InChi Code: InChI=1S/C23H22N8O/c1-12-7-4-5-10-16(12)31-21(28-15-9-6-8-13(2)17(15)22(31)32)14(3)27-20-18-19(26-11-25-18)29-23(24)30-20/h4-11,14H,1-3H3,(H4,24,25,26,27,29,30)/t14-/m0/s1
SMILES Code: O=C1N(C2=CC=CC=C2C)C([C@@H](NC3=C4NC=NC4=NC(N)=N3)C)=NC5=C1C(C)=CC=C5
Technical Data
Additional Information
Related:
1431697-74-3 (free base)
1431697-78-7 (HCl).
References
1: Subramaniam PS, Whye DW, Efimenko E, Chen J, Tosello V, De Keersmaecker K, Kashishian A, Thompson MA, Castillo M, Cordon-Cardo C, Davé UP, Ferrando A, Lannutti BJ, Diacovo TG. Targeting nonclassical oncogenes for therapy in T-ALL. Cancer Cell. 2012 Apr 17;21(4):459-72. doi: 10.1016/j.ccr.2012.02.029. PubMed PMID: 22516257.