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Chemical structure of RP-3500

GC64278

RP-3500

Also known as (1R,5S)-3-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-8-oxabicyclo[3.2.1]octan-3-ol

RP-3500 (ATR inhibitor 4) is an orally active, selective ATR kinase inhibitor (ATRi) with an IC50 of 1·00 nM in biochemical assays· RP-3500 shows 30-fold selectivity for ATR over mTOR (IC50=120 nM) and >2,000-fold selectivity over ATM, DNA-PK, and PI3Kα kinases· RP-3500 has potent antitumor activity

ChemicalCAS2417489-10-0MW410.47FormulaC21H26N6O3
CAS number
2417489-10-0
Molecular weight
410.47
Formula
C21H26N6O3
InChIKey
YIHHYCIYAIVQKX-YNOVCBQDSA-N
Catalogue number
GC64278
Brand
GLPBIO
Computed properties PubChem CID 156487652 · XLogP 1.6 · TPSA 101 Ų · H-bond donors 2
XLogP
1.6
TPSA
101 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
30

SMILES C[C@@H]1COCCN1C2=NC3=C(C=NN3C4=CC=NN4)C(=C2)C5(C[C@H]6CC[C@@H](C5)O6)O

Computed descriptors from PubChem (CID 156487652), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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