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Chemical structure of KY-556 (N556)

GC31971

KY-556 (N556)

Also known as ethyl 5-[2-[(2S)-2,6-diaminohexanoyl]oxy-3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxypropoxy]-4-oxochromene-2-carboxylate;dihydrochloride

KY-556 (N556) is a promising and orally-active pro-drug of disodium cromoglycate (DSCG) against allergic diseases

ChemicalCAS110816-78-9MW725.57FormulaC33H38Cl2N2O12
CAS number
110816-78-9
Molecular weight
725.57
Formula
C33H38Cl2N2O12
Solubility
DMSO : 83·33 mg/mL (114·85 mM; Need ultrasonic)
InChIKey
VZZTWOVKCVPTSM-FJSYBICCSA-N
Catalogue number
GC31971
Brand
GLPBIO
Computed properties PubChem CID 196638 · TPSA 202 Ų · H-bond donors 4 · H-bond acceptors 14
TPSA
202 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
19
Heavy atoms
49

SMILES CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)OCC)OC(=O)[C@H](CCCCN)N.Cl.Cl

Computed descriptors from PubChem (CID 196638), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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