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Chemical structure of E7766 diammonium salt

GC62608

E7766 diammonium salt

Also known as azane;(1R,3R,15Z,28R,29R,30R,31R,36R,41R)-29,41-difluoro-34,39-dihydroxy-34,39-bis(sulfanylidene)-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaza-34lambda5,39lambda5-diphosphaoctacyclo[28.6.4.13,36.128,31.04,8.07,12.019,24.023,27]dotetraconta-5,7(12),8,10,15,19(24),20,22,25-nonaene

E7766 diammonium salt is a macrocycle-bridged STING agonist with a Kd of 40 nM· E7766 diammonium salt shows potent pan-genotypic and antitumor activities

ChemicalCAS2242635-03-4MW780.66FormulaC24H32F2N12O8P2S2
CAS number
2242635-03-4
Molecular weight
780.66
Formula
C24H32F2N12O8P2S2
InChIKey
HGYDKGHNNZBHIY-VKEOINCVSA-N
Catalogue number
GC62608
Brand
GLPBIO
Computed properties PubChem CID 170452792 · TPSA 273 Ų · H-bond donors 6 · H-bond acceptors 22
TPSA
273 Ų
H-bond donors
6
H-bond acceptors
22
Rotatable bonds
0
Heavy atoms
50

SMILES C1/C=C\CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=S)(O[C@@H]6[C@@H](COP(=S)(O5)O)O[C@H]([C@@H]6F)N7C=NC8=C(N1)N=CN=C87)O)F.N.N

Computed descriptors from PubChem (CID 170452792), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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