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Chemical structure of Ipatasertib-NH2

GC63283

Ipatasertib-NH2

Also known as (2S)-3-amino-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Ipatasertib-NH2 (GDC-0068-NH2;RG7440-NH2) is a ligand for target protein AKT for PROTAC (INY-03-041)· INY-03-041 is composed of Ipatasertib-NH2, a ten-hydrocarbon linker, and a CRBN ligand Lenalidomide for E3 ubiquitin ligase

ChemicalCAS1001382-14-4MW415.92FormulaC21H26ClN5O2
CAS number
1001382-14-4
Molecular weight
415.92
Formula
C21H26ClN5O2
Solubility
DMSO ： 210 mg/mL (504·90 mM; Need ultrasonic)
InChIKey
FKWGZLUCQAOQDJ-KBRIMQKVSA-N
Catalogue number
GC63283
Brand
GLPBIO
Computed properties PubChem CID 59671144 · XLogP 1.2 · TPSA 95.6 Ų · H-bond donors 2
XLogP
1.2
TPSA
95.6 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29

SMILES C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CN)C4=CC=C(C=C4)Cl)O

Computed descriptors from PubChem (CID 59671144), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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