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Chemical structure of BCRP-IN-1

GC33099

BCRP-IN-1

Also known as (2S,5S,8S)-14-methoxy-5-methyl-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

BCRP-IN-1 is a breast cancer resistance protein (BCRP) inhibitor with an IC50 of 0·6 μM on BCRP efflux transporter

ChemicalCAS1699720-85-8MW355.43FormulaC20H25N3O3
CAS number
1699720-85-8
Molecular weight
355.43
Formula
C20H25N3O3
Solubility
DMSO ： ≥ 50 mg/mL (140·67 mM)
InChIKey
XDVXQQDQFWVCAU-GOPGUHFVSA-N
Catalogue number
GC33099
Brand
GLPBIO
Computed properties PubChem CID 91669184 · XLogP 2.7 · TPSA 74.4 Ų · H-bond donors 2
XLogP
2.7
TPSA
74.4 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26

SMILES C[C@H]1C(=O)N2[C@@H](CC3=C([C@@H]2CC(C)C)NC4=C3C=CC(=C4)OC)C(=O)N1

Computed descriptors from PubChem (CID 91669184), 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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Pricing
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Documents
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