CAS 1256094-72-0|AI-10-49

Introduction：Basic information about CAS 1256094-72-0|AI-10-49, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameAI-10-49
CAS Number1256094-72-0Molecular Weight660.523
Density1.5±0.1 g/cm3Boiling Point790.3±70.0 °C at 760 mmHg
Molecular FormulaC30H22F6N6O5Melting Point/
MSDS/Flash Point431.8±35.7 °C

Names

Name2,2'-[Oxybis(2,1-ethanediyloxy-5,2-pyridinediyl)]bis[6-(trifluoromethoxy)-1H-benzimidazole]
SynonymMore Synonyms

AI-10-49 BiologicalActivity

DescriptionAI-10-49 is a protein-protein interaction inhibitor that selectively binds to CBFβ-SMMHC and disrupts its binding to RUNX1 with a FRET IC50 of 0.26 uM.IC50 value: 0.26 uM [1]Target: CBFβ-SMMHC/RUNX1 interaction inhibitorAI-10-49 restores RUNX1 transcriptional activity, displays favorable pharmacokinetics,and delays leukemia progression in mice. Treatment of primary inv(16) AML patient blasts with AI-10-49 triggers selective cell death. These data suggest that direct inhibition of the oncogenic CBFβ-SMMHC fusion protein may be an effective therapeutic approach for inv(16) AML, and they provide support for transcription factor targeted therapy in other cancers.
Related CatalogSignaling Pathways >>Others >>OthersResearch Areas >>Cancer
References

[1]. Illendula A, et al. Chemical biology. A small-molecule inhibitor of the aberrant transcription factor CBFβ-SMMHC delays leukemia in mice. Science. 2015 Feb 13;347(6223):779-84.

Chemical & Physical Properties

Density1.5±0.1 g/cm3
Boiling Point790.3±70.0 °C at 760 mmHg
Molecular FormulaC30H22F6N6O5
Molecular Weight660.523
Flash Point431.8±35.7 °C
Exact Mass660.155579
PSA129.29000
LogP7.00
Vapour Pressure0.0±2.8 mmHg at 25°C
Index of Refraction1.611
InChIKeyWJBSSBFGPKTMQQ-UHFFFAOYSA-N
SMILESFC(F)(F)Oc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(OC(F)(F)F)cc6[nH]5)nc4)cn3)[nH]c2c1
Storage condition-20℃

Synonyms

AI-10-49
1H-Benzimidazole, 2,2'-[oxybis(2,1-ethanediyloxy-5,2-pyridinediyl)]bis[5-(trifluoromethoxy)-
2,2'-[Oxybis(2,1-ethanediyloxy-5,2-pyridinediyl)]bis[5-(trifluoromethoxy)-1H-benzimidazole]
CAS 1255942-06-3|DBCO-Amine
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