YX-2-107

• CAT Number: I042299
• CAS Number: 2417408-46-7
• Molecular Formula: C45H51N11O9
• Molecular Weight: 889.95
• Purity: ≥95%
• Synonyms: N-[4-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]amino]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• InChI: InChI=1S/C45H51N11O9/c1-26-31-23-49-45(52-40(31)55(28-8-3-4-9-28)43(63)38(26)27(2)57)50-34-14-12-29(22-48-34)53-18-20-54(21-19-53)37(60)24-46-16-5-6-17-47-36(59)25-65-33-11-7-10-30-39(33)44(64)56(42(30)62)32-13-15-35(58)51-41(32)61/h7,10-12,14,22-23,28,32,46H,3-6,8-9,13,15-21,24-25H2,1-2H3,(H,47,59)(H,51,58,61)(H,48,49,50,52)
• InChIKey: JNYCZFGLJGFFEL-UHFFFAOYSA-N
• SMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)CNCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C8CCCC8)C(=O)C

YX-2-107 is a PROTAC (IC50= 4.4 nM) that selectively degrades CDK6. YX-2-107 effectively inhibits RB phosphorylation and FOXM1 expression in vitro and inhibits the development of Ph+ ALL in rats. YX-2-107 can be used in the study of Ph chromosome-positive (Ph+) acute lymphoblastic leukemia (ALL)[1].
YX-2-107 (2000 nM; 48 h) shows inhibition of S phase in Ph+ BV173 and SUP-B15 cells[1].
YX-2-107 (0, 1.6, 8, 40, 200, 1000 nM;4 h) selectively degrades CDK6 in BV173 cells[1].
YX-2-107 (2000 nM; 72 h) inhibits RB phosphorylation and FOXM1 expression in Ph+ BV173 and SUP-B15 cells[1].
YX-2-107 (10 mg/kg; i.p.; single) shows a maximum concentration of 741 nM (150-fold greater than CDK6 degradation IC50), with clearance from the plasma after 4 hours[1].
YX-2-107 (150 mg/kg; i.p.; single daily for 3 days) is pharmacologically active in suppressing Ph+ ALL proliferation in mice[1].

Reference

[1]. De Dominici M, et al. Selective inhibition of Ph-positive ALL cell growth through kinase-dependent and -independent effects by CDK6-specific PROTACs. Blood. 2020 Apr 30;135(18):1560-1573.
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