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2138498-18-5

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2138498-18-5 Structure

2138498-18-5 Structure
IdentificationBack Directory
[Name]

diABZI STING agonist-1 Tautomerism
[CAS]

2138498-18-5
[Synonyms]

diABZI STING agonist-1 Tautomerism
diABZI STING agonist 1 (compound 3)
1H-Benzimidazole-5-carboxamide, 1-[(2E)-4-[(2E)-5-(aminocarbonyl)-2-[[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]imino]-2,3-dihydro-7-methoxy-1H-benzimidazol-1-yl]-2-buten-1-yl]-2-[[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]imino]-2,3-dihydro-7-[3-(4-morpholinyl)propoxy]-, (2E)-
[Molecular Formula]

C42H51N13O7
[MDL Number]

MFCD31746907
[MOL File]

2138498-18-5.mol
[Molecular Weight]

849.94
Chemical PropertiesBack Directory
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

11.87±0.43(Predicted)
[color ]

White to light yellow
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Hazard InformationBack Directory
[Chemical Properties]

diABZI STING agonist-1 Tautomerism is a potent non-nucleoside STING agonist with great potential for the treatment of human cancers.
[Uses]

diABZI STING agonist-1 tautomerism is a tautomerism of diABZI STING agonist-1 (HY-112921) (compound 3). diABZI STING agonist-1 tautomerism is a selective stimulator of interferon genes (STING) receptor agonist, with EC50s of 130, 186 nM for human and mouse, respectively[1].
[in vitro]

diABZI STING agonist-1 (Tautomerism) is a selective stimulator of interferon genes (STING) receptor agonist, with EC50s of 130, 186 nM for human and mouse, respectively. At a concentration of 1 μM, it demonstrates high selectivity against more than 350 kinases tested.
[in vivo]

diABZI STING agonist-1 (Tautomerism) (subcutaneous injection; 2.5 mg/kg) induces STING-dependent activation of type-I interferon and pro-inflammatory cytokines in vivo.
[References]

[1] Ramanjulu JM, et al. Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature. 2018 Nov 7. DOI:10.1038/s41586-018-0705-y
Spectrum DetailBack Directory
[Spectrum Detail]

diABZI STING agonist-1 Tautomerism(2138498-18-5)1HNMR
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