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Chemical structure of RLY-2608

GC73430

RLY-2608

Also known as N-[(3R)-3-(2-chloro-5-fluorophenyl)-6-(5-cyano-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide

RLY-2608 is an orally active first-in-class allosteric mutant-selective inhibitor of PI3Ka with anti-tumor activity

ChemicalCAS2733573-94-7MW608.91FormulaC29H14ClF5N6O2
CAS number
2733573-94-7
Molecular weight
608.91
Formula
C29H14ClF5N6O2
Solubility
DMSO ： 100 mg/mL (164·23 mM; ultrasonic and warming and heat to 60°C)
InChIKey
VYWRYBZVVSPTQN-SANMLTNESA-N
Catalogue number
GC73430
Brand
GLPBIO
Computed properties PubChem CID 166822065 · XLogP 5.5 · TPSA 112 Ų · H-bond donors 2
XLogP
5.5
TPSA
112 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
43

SMILES C1=CC(=C(C=C1F)[C@H]2C3=C(C=C(C=C3NC(=O)C4=CC(=CC(=C4)F)C(F)(F)F)C5=C(N6C(=NC=N6)C=C5)C#N)C(=O)N2)Cl

Computed descriptors from PubChem (CID 166822065), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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