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Chemical structure of (Rac)-Etavopivat

GC69796

(Rac)-Etavopivat

Also known as 1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-hydroxy-2-phenylpropan-1-one

(Rac)-Etavopivat ((Rac)-FT-4202) is an isomer of Etavopivat· Etavopivat is an orally active activator of red blood cell pyruvate kinase-R (PKR), which can be used for research on sickle cell disease and other hemoglobin disorders

ChemicalCAS2622070-93-1MW457.5FormulaC22H23N3O6S
CAS number
2622070-93-1
Molecular weight
457.5
Formula
C22H23N3O6S
Solubility
DMSO : 100 mg/mL (218·58 mM; Need ultrasonic)
InChIKey
KZFFYEPYCVDOGE-UHFFFAOYSA-N
Catalogue number
GC69796
Brand
GLPBIO
Computed properties PubChem CID 135338361 · XLogP -0.8 · TPSA 118 Ų · H-bond donors 1
XLogP
-0.8
TPSA
118 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
32

SMILES C1COC2=C(O1)C=C(C=N2)S(=O)(=O)N3CC4=C(C3)CN(C4)C(=O)C(CO)C5=CC=CC=C5

Computed descriptors from PubChem (CID 135338361), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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