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MedKoo Cat#: 561284 | Name: AI-4-57 Hydrochloride

Description:

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

AI-4-57 Hydrochloride is a ligand to the CBFß portion of the CBFß-SMMHC fusion protein. AI-4-57 Hydrochloride inhibits its binding to the Runt domain of RUNX proteins, and is also a modest potency inhibitor of the binding of wildtype CBFß to the RUNX1 Runt domain.

Chemical Structure

AI-4-57 Hydrochloride
AI-4-57 Hydrochloride
CAS#63053-14-5 (free base)

Theoretical Analysis

MedKoo Cat#: 561284

Name: AI-4-57 Hydrochloride

CAS#: 63053-14-5 (free base)

Chemical Formula: C13H12ClN3O

Exact Mass:

Molecular Weight: 261.71

Elemental Analysis: C, 59.66; H, 4.62; Cl, 13.55; N, 16.06; O, 6.11

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
AI-4-57 Hydrochloride; AI 4 57 Hydrochloride; AI457 Hydrochloride; AI-4-57 HCl; AI 4 57 HCl; AI457 HCl; 1H-Benzimidazole, 6-methoxy-2-(2-pyridinyl)-;
IUPAC/Chemical Name
5-Methoxy-2-pyridin-2-yl-1H-benzoimidazole hydrochloride
InChi Key
WJZIQCSBVFWEQX-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H11N3O.ClH/c1-17-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;/h2-8H,1H3,(H,15,16);1H
SMILES Code
COC1=CC=C2C(N=C(C3=NC=CC=C3)N2)=C1.[H]Cl
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

Preparing Stock Solutions

The following data is based on the product molecular weight 261.71 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
1: Illendula A, Pulikkan JA, Zong H, et al. A small-molecule inhibitor of the aberrant transcription factor CBFβ-SMMHC delays leukemia in mice. Science (New York, NY). 2015;347(6223):779-784. doi:10.1126/science.aaa0314.