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Chemical structure of Tagtociclib hydrate

GC73063

Tagtociclib hydrate

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

PF-07104091 drate is a potent and selective CDK2/cyclin E1 and GSK3β inhibitor, with Kis of 1·16 and 537·81 nM, respectively

ChemicalCAS2733575-91-0MW422.48FormulaC19H30N6O5
CAS number
2733575-91-0
Molecular weight
422.48
Formula
C19H30N6O5
Solubility
DMSO ： 116·67 mg/mL (276·16 mM; Need ultrasonic)
InChIKey
CFGMPDNYFGKCIR-DSHXVJGRSA-N
Catalogue number
GC73063
Brand
GLPBIO
Computed properties PubChem CID 154616421 · TPSA 124 Ų · H-bond donors 4 · H-bond acceptors 7
TPSA
124 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
30

SMILES CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)C2=CC(=NN2)NC(=O)C3=CC(=NN3C)COC.O

Computed descriptors from PubChem (CID 154616421), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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