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Chemical structure of Efflux inhibitor-1

GC69042

Efflux inhibitor-1

Also known as furan-3-yl-[4-[2-(2-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone

Efflux inhibitor-1 (compound 2) is a pyrazolo[1,5-a]pyrimidine efflux inhibitor· Efflux inhibitor-1 selectively targets ABCG2 over ABCB1 with IC50 values of 0·45 μM and 2·17 μM, respectively

ChemicalCAS1776055-29-8MW479.53FormulaC28H25N5O3
CAS number
1776055-29-8
Molecular weight
479.53
Formula
C28H25N5O3
Solubility
DMSO ： 50 mg/mL (104·27 mM; ultrasonic and warming and heat to 60°C)
InChIKey
SFNWNSAJWDYPJC-UHFFFAOYSA-N
Catalogue number
GC69042
Brand
GLPBIO
Computed properties PubChem CID 44640183 · XLogP 4.1 · TPSA 76.1 Ų · H-bond donors 0
XLogP
4.1
TPSA
76.1 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
36

SMILES COC1=CC=CC=C1C2=NN3C(=C2)N=C(C=C3N4CCN(CC4)C(=O)C5=COC=C5)C6=CC=CC=C6

Computed descriptors from PubChem (CID 44640183), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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