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Chemical structure of ML-031

GC11668

ML-031

Also known as 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione

ML-031 is a potent and selective agonist Sphingosine 1-phosphate receptor 2 (S1PR2) with an IC50 and EC50 of 1·0 and 1·03 μM· ML-031 has the potential for the research of cancer diseases

ChemicalCAS852230-33-2MW324.4FormulaC19H20N2O3
CAS number
852230-33-2
Molecular weight
324.4
Formula
C19H20N2O3
Solubility
≤5mg/ml in ethanol;5mg/ml in DMSO
InChIKey
JRESCQKIRPOOEM-UHFFFAOYSA-N
Catalogue number
GC11668
Brand
GLPBIO
Computed properties PubChem CID 2113511 · XLogP 1.7 · TPSA 59.4 Ų · H-bond donors 0
XLogP
1.7
TPSA
59.4 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
24

SMILES CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)CCC3=O

Computed descriptors from PubChem (CID 2113511), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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