Tagtociclib hydrate

For research use only. Not for therapeutic Use.

  • CAT Number: I040083
  • CAS Number: 2733575-91-0
  • Molecular Formula: C19H30N6O5
  • Molecular Weight: 422.48
  • Purity: ≥95%
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PF-07104091 hydrate is a potent and selective CDK2/cyclin E1 and GSK3β inhibitor, with Kis of 1.16 and 537.81 nM, respectively. PF-07104091 hydrate has anti-tumor activity for cyclin E1-amplified cancers. (patent WO2020157652A2).
PF-07104091 hydrate (Example 13) inhibits CDK1/cyclin A2, CDK4/cyclin D1, CDK6/cyclin D3 and CDK9, with Kis of 110, 238, 465 and 117 nM, respectively[1].


Catalog Number I040083
CAS Number 2733575-91-0
Synonyms

[(1R,3S)-3-[3-[[5-(methoxymethyl)-2-methylpyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate;hydrate

Molecular Formula C19H30N6O5
Purity ≥95%
InChI InChI=1S/C19H28N6O4.H2O/c1-11(2)20-19(27)29-14-6-5-12(7-14)15-9-17(23-22-15)21-18(26)16-8-13(10-28-4)24-25(16)3;/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26);1H2/t12-,14+;/m0./s1
InChIKey CFGMPDNYFGKCIR-DSHXVJGRSA-N
SMILES CC(C)NC(=O)OC1CCC(C1)C2=CC(=NN2)NC(=O)C3=CC(=NN3C)COC.O
Reference

[1]. Douglas Carl BEHENNA, et al. Cdk2 inhibitors. WO2020157652A2.

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