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Chemical structure of BrBzGCp2

GC61398

BrBzGCp2

Also known as cyclopentyl (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)methylsulfanyl]-1-[(2-cyclopentyloxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate

BrBzGCp2 is a Glyoxalase 1 (GLO1) inhibitor, with a GC50 of 4·23 μM in HL-60 cells

ChemicalCAS166038-00-2MW612.58FormulaC27H38BrN3O6S
CAS number
166038-00-2
Molecular weight
612.58
Formula
C27H38BrN3O6S
Solubility
DMSO： 250 mg/mL (408·11 mM)
InChIKey
QIFSPGPRHFNZNN-GOTSBHOMSA-N
Catalogue number
GC61398
Brand
GLPBIO
Computed properties PubChem CID 127939 · XLogP 3.5 · TPSA 162 Ų · H-bond donors 3
XLogP
3.5
TPSA
162 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
16
Heavy atoms
38

SMILES C1CCC(C1)OC(=O)CNC(=O)[C@H](CSCC2=CC=C(C=C2)Br)NC(=O)CC[C@@H](C(=O)OC3CCCC3)N

Computed descriptors from PubChem (CID 127939), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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