E7766 disodium

CAT: 0013-GTR19213157-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19213157-02Size:50 mg

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Description

E7766 disodium is a potent, macrocycle-bridged STING agonist with a 40 nM binding affinity (Kd) . It demonstrates broad pan-genotypic activity and robust antitumor effects, supporting its investigation in cancer immunotherapy research across both in vitro and in vivo experimental models.

CAS Number

2242636-28-6

Field of Research

Immunology & Inflammation

Smiles

O=[P@@] (OC[C@@H]1[C@@H] (O2) [C@@H] (F) [C@H] ([N@@]3C=NC (C3=NC=N4) =C4NC/C=C/CN5) O1) (O[C@H] ([C@H]6CO[P@@]2 ([S-]) =O) [C@@H] (F) [C@@H] (O6) [N@]7C8=NC=NC5=C8N=C7) [S-].[Na+].[Na+]

Molecular Formula

C24H26F2N10Na2O8P2S2

Molecular Weight

792.58

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

disodium;(1R,3R,15Z,28R,29R,30R,31R,36R,41R)-29,41-difluoro-39-oxido-39-sulfanylidene-34-sulfido-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 34-oxide

CAS Number	2242636-28-6
PubChem CID	171360917
IUPAC Name	disodium;(1R,3R,15Z,28R,29R,30R,31R,36R,41R)-29,41-difluoro-39-oxido-39-sulfanylidene-34-sulfido-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 34-oxide
Molecular Formula	C24H24F2N10Na2O8P2S2
Molecular Weight	790.6
Topological Polar Surface Area	240
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	0
Heavy Atom Count	50
Formal Charge	0
Complexity	1240

SMILES

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

InChI

InChI=1S/C24H26F2N10O8P2S2.2Na/c25-13-17-11-5-39-46(38,48)44-18-12(6-40-45(37,47)43-17)42-24(14(18)26)36-10-34-16-20(30-8-32-22(16)36)28-4-2-1-3-27-19-15-21(31-7-29-19)35(9-33-15)23(13)41-11;;/h1-2,7-14,17-18,23-24H,3-6H2,(H,37,47)(H,38,48)(H,27,29,31)(H,28,30,32);;/q;2*+1/p-2/b2-1-;;/t11-,12-,13-,14-,17-,18-,23-,24-,45?,46?;;/m1../s1

InChIKey

XZCSQHNSDGSUJR-VKEOINCVSA-L

Chemical Structure

2D Structure

CAS: 2242636-28-6

CID: 171360917

Formula: C24H24F2N10Na2O8P2S2

MW: 790.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	790.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	0
Exact Mass	790.04586899
Monoisotopic Mass	790.04586899
Topological Polar Surface Area	240 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1240
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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T72811-01	E7766 disodium
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T72392-01	E7766 diammonium salt
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E7766 disodium

Chemical Information

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