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Chemical structure of 116-9e

GC63796

116-9e

Also known as 6-[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid

116-9e (MAL2-11B) is a Hsp70 co-chaperone DNAJA1 inhibitor

ChemicalCAS831217-43-7MW512.6FormulaC31H32N2O5
CAS number
831217-43-7
Molecular weight
512.6
Formula
C31H32N2O5
Solubility
DMSO : 100 mg/mL (195·08 mM; Need ultrasonic)
InChIKey
GHFQWLNXJMUCGC-UHFFFAOYSA-N
Catalogue number
GC63796
Brand
GLPBIO
Computed properties PubChem CID 5461634 · XLogP 4.9 · TPSA 95.9 Ų · H-bond donors 2
XLogP
4.9
TPSA
95.9 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
38

SMILES CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Computed descriptors from PubChem (CID 5461634), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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