(E/Z)-Zotiraciclib citrate

For research use only. Not for therapeutic Use.

  • CAT Number: I043964
  • CAS Number: 1204918-73-9
  • Molecular Formula: C29H32N4O8
  • Molecular Weight: 564.59
  • Purity: ≥95%
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(E/Z)-Zotiraciclib citrate is a potent CDK2, JAK2, and FLT3 inhibitor[1].


Catalog Number I043964
CAS Number 1204918-73-9
Synonyms

2-hydroxypropane-1,2,3-tricarboxylic acid;(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene

Molecular Formula C29H32N4O8
Purity ≥95%
InChI InChI=1S/C23H24N4O.C6H8O7/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b3-2+;
InChIKey NWYDRHSNEATNRI-SQQVDAMQSA-N
SMILES CN1CC=CCCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Reference

[1]. William AD, et al. Discovery of kinase spectrum selective macrocycle (16E)-14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene (SB1317/TG02), a potent inhibitor of cyclin dependent kinases (CDKs), Janus kinase 2 (JAK2), and fms-like tyrosine kinase-3 (FLT3) for the treatment of cancer. J Med Chem. 2012;55(1):169-196.
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