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Chemical structure of S32826 disodium

GC63997

S32826 disodium

Also known as disodium;N-[4-(phosphonatomethyl)phenyl]tetradecanamide

S32826 disodium is a potent autotaxin inhibitor, with an IC50 of 8·8 nM

ChemicalCAS1103672-43-0MW441.45FormulaC21H34NNa2O4P
CAS number
1103672-43-0
Molecular weight
441.45
Formula
C21H34NNa2O4P
Solubility
Ethanol ： 2·4 mg/mL (5·44 mM; Need ultrasonic)|Water ： ＜ 0·1 mg/mL (ultrasonic;warming;heat to 60°C) (insoluble)
InChIKey
DGRFALMFDGBLCP-UHFFFAOYSA-L
Catalogue number
GC63997
Brand
GLPBIO
Computed properties PubChem CID 71311878 · TPSA 92.3 Ų · H-bond donors 1 · H-bond acceptors 4
TPSA
92.3 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
14
Heavy atoms
29

SMILES CCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)CP(=O)([O-])[O-].[Na+].[Na+]

Computed descriptors from PubChem (CID 71311878), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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