ADU-S100

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22N10O10P2S2.2Na
Molecular Weight	734.507
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]4CO[P@]([S-])(=O)O[C@@H]5[C@H](O)[C@@H](CO[P@]([S-])(=O)O[C@H]4[C@H]3O)O[C@H]5N6C=NC7=C6N=CN=C7N

InChI

InChIKey=GDWOOOCBNOMMTL-ITQXCAEYSA-L

InChI=1S/C20H24N10O10P2S2.2Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30;;/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26);;/q;2*+1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-,41-,42-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C20H22N10O10P2S2
Molecular Weight	688.527
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Stimulator of interferon genes protein 5 Target ID: Q86WV6 Gene ID: 340061.0 Gene Symbol: TMEM173 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/25959818	Agonist 2678

PubMed

Title	Date	PubMed
Direct Activation of STING in the Tumor Microenvironment Leads to Potent and Systemic Tumor Regression and Immunity.	2015 May 19	25959818

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:47:42 GMT 2023` Edited by `admin` on `Sat Dec 16 10:47:42 GMT 2023`
Record UNII	FMW9ZVF53N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ADU-S100

Code

English

MW-815

Code

English

MIW815

Code

English

ADENOSINE, (P(R))-5'-O-((R)-HYDROXYMERCAPTOPHOSPHINYL)-P-THIOADENYLYL-(2'->5')-, CYCLIC NUCLEOTIDE, SODIUM SALT (1:2)

Systematic Name

English

ADU S100 [WHO-DD]

Common Name

English

STING-ACTIVATING CYCLIC DINUCLEOTIDE AGONIST MIW815

Common Name

English

CDN AGONIST ADU-S100

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C129820