STING agonist 3 , CAS No.S613737, Agonist of stimulator of interferon response cGAMP interactor 1

Item Number

S613737

Grouped product items
SKU	Size	Availability	Price	Qty
S613737-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
S613737-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90

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Basic Description

Synonyms	compound 3 [PMID: 30405246] \| diABZI \| diABZI STING agonist-1 \| diABZI STING agonist-1 Tautomerism \| HY-112921 \| 1-[(2E)-4-[5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-7-[3-(morpholin-4-yl)propoxy]-1H-1,3-benzodiazol-1-yl]but-2-en-1-yl]-2-(1-ethy
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Agonist of stimulator of interferon response cGAMP interactor 1

Associated Targets(Human)

TMEM173 Tchem Stimulator of interferon genes protein (3 Activities)

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NFKB2 Tchem Nuclear factor NF-kappa-B complex (2307 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

4T1 (1737 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Sting1 Stimulator of interferon genes protein (255 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	1-[(2E)-4-[5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-7-[3-(morpholin-4-yl)propoxy]-1H-1,3-benzodiazol-1-yl]but-2-en-1-yl]-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-7-methoxy-1H-1,3-benzodiazole-5-carboxamide
INCHI	InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+
InChi Key	JGLMVXWAHNTPRF-CMDGGOBGSA-N
Canonical SMILES	COc1cc(cc2c1n(C/C=C/Cn1c(NC(=O)c3cc(nn3CC)C)nc3c1c(OCCCN1CCOCC1)cc(c3)C(=O)N)c(n2)NC(=O)c1cc(nn1CC)C)C(=O)N
Isomeric SMILES	CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2C/C=C/CN4C5=C(C=C(C=C5OCCCN6CCOCC6)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C)C(=CC(=C3)C(=O)N)OC
PubChem CID	131986624

References

1. Li M, Ferretti M, Ying B, Descamps H, Lee E, Dittmar M, Lee JS, Whig K, Kamalia B, Dohnalová L et al.. (2021) Pharmacological activation of STING blocks SARS-CoV-2 infection.. Sci Immunol, 6 (59): (1755-70). [PMID:34010142] [10.1126/sciimmunol.abi9007]
2. Ramanjulu JM, Pesiridis GS, Yang J, Concha N, Singhaus R, Zhang SY, Tran JL, Moore P, Lehmann S, Eberl HC et al.. (2018) Design of amidobenzimidazole STING receptor agonists with systemic activity.. Nature, 564 (7736): (439-443). [PMID:30405246] [10.1021/op500134e]

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Basic Description