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Chemical structure of OTX008

GC18756

OTX008

Also known as N-[2-(dimethylamino)ethyl]-2-[[26,27,28-tris[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide

OTX008 is a small molecule topomimetic of the antiangiogenic peptide anginex and an inhibitor of galectin-1 (Gal-1)

ChemicalCAS286936-40-1MW937.2FormulaC52H72N8O8
CAS number
286936-40-1
Molecular weight
937.2
Formula
C52H72N8O8
Solubility
DMF： 1 mg/ml,DMSO： 2 mg/ml,Ethanol： 5 mg/ml,PBS (pH 7·2)： 0·5 mg/ml
InChIKey
CQVAQQNDZCZBSU-UHFFFAOYSA-N
Catalogue number
GC18756
Brand
GLPBIO
Computed properties PubChem CID 11953346 · XLogP 5.1 · TPSA 166 Ų · H-bond donors 4
XLogP
5.1
TPSA
166 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
24
Heavy atoms
68

SMILES CN(C)CCNC(=O)COC1=C2CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5OCC(=O)NCCN(C)C)CC1=CC=C2)OCC(=O)NCCN(C)C)OCC(=O)NCCN(C)C

Computed descriptors from PubChem (CID 11953346), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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