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

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

Download

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