AI-10-49

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407855

CAS#: 1256094-72-0

Description: AI-10-49 is an inhibitor that binds the transcription factor fusion CBFβ-SMMHC. AI-10-49, that selectively binds to CBFβ-SMMHC and disrupts its binding to RUNX1. AI-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.

Chemical Structure

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AI-10-49
CAS# 1256094-72-0
Instruction

Theoretical Analysis

MedKoo Cat#: 407855
Name: AI-10-49
CAS#: 1256094-72-0
Chemical Formula: C30H22F6N6O5
Exact Mass: 660.16
Molecular Weight: 660.533
Elemental Analysis: C, 54.55; H, 3.36; F, 17.26; N, 12.72; O, 12.11

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: AI-10-49; AI 10-49; AI10-49; AI-1049; AI 1049; AI1049;

IUPAC/Chemical Name: 2,2'-(((oxybis(ethane-2,1-diyl))bis(oxy))bis(pyridine-5,2-diyl))bis(5-(trifluoromethoxy)-1H-benzo[d]imidazole)

InChi Key: WJBSSBFGPKTMQQ-UHFFFAOYSA-N

InChi Code: InChI=1S/C30H22F6N6O5/c31-29(32,33)46-17-1-5-21-25(13-17)41-27(39-21)23-7-3-19(15-37-23)44-11-9-43-10-12-45-20-4-8-24(38-16-20)28-40-22-6-2-18(14-26(22)42-28)47-30(34,35)36/h1-8,13-16H,9-12H2,(H,39,41)(H,40,42)

SMILES Code: FC(OC1=CC=C(NC(C2=NC=C(OCCOCCOC3=CN=C(C4=NC5=C(C=CC(OC(F)(F)F)=C5)N4)C=C3)C=C2)=N6)C6=C1)(F)F

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info: Patent License information: In February 2018, MedKoo signed agreement to license the patent right of AI-10-49 from University of Virginia Charlottesville, which grants MedKoo to sell AI-10-49 for search use. AI-10-49 is covered by US patent US8748618. The inventors are John H. BushwellerJolanta GrembeckaAnuradha IllendulaLauren Dixon; Inhibitors of inv(16) leukemia.

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 660.53 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Castilla LH, Bushweller JH. Molecular Basis and Targeted Inhibition of CBFβ-SMMHC Acute Myeloid Leukemia. Adv Exp Med Biol. 2017;962:229-244. doi: 10.1007/978-981-10-3233-2_15. Review. PubMed PMID: 28299661.

2: Illendula A, Pulikkan JA, Zong H, Grembecka J, Xue L, Sen S, Zhou Y, Boulton A, Kuntimaddi A, Gao Y, Rajewski RA, Guzman ML, Castilla LH, Bushweller JH. 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. doi: 10.1126/science.aaa0314. PubMed PMID: 25678665; PubMed Central PMCID: PMC4423805.