MedKoo Cat#: 128234 | Name: AS-254s

Description:

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

AS-254s is a highly potent and selective ASH1L inhibitor (IC50 = 94 nM), representing substantially improved inhibitory activity over previously reported compounds targeting ASH1L. Furthermore, AS-254s effectively blocked cell proliferation and induced apoptosis and differentiation in leukemia cells harboring MLL1 translocations.

Chemical Structure

AS-254s
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128234

Name: AS-254s

CAS#: N/A

Chemical Formula: C36H41ClN6O3S2

Exact Mass: 704.2370

Molecular Weight: 705.33

Elemental Analysis: C, 61.30; H, 5.86; Cl, 5.03; N, 11.92; O, 6.80; S, 9.09

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 #
No Data
Synonym
AS-254s; AS 254s; AS254s
IUPAC/Chemical Name
N-(2-(2-(((3-(3-carbamothioylphenyl)-7-chloro-1-(tetrahydro-2H-pyran-4-yl)-1H-indol-6-yl)methyl)carbamoyl)-7-azaspiro[3.5]nonan-7-yl)ethyl)thiazole-2-carboxamide
InChi Key
BPGCWHKAMJXFNM-UHFFFAOYSA-N
InChi Code
InChI=1S/C36H41ClN6O3S2/c37-30-25(4-5-28-29(23-2-1-3-24(18-23)32(38)47)22-43(31(28)30)27-6-15-46-16-7-27)21-41-33(44)26-19-36(20-26)8-12-42(13-9-36)14-10-39-34(45)35-40-11-17-48-35/h1-5,11,17-18,22,26-27H,6-10,12-16,19-21H2,(H2,38,47)(H,39,45)(H,41,44)
SMILES Code
O=C(NCCN1CCC2(CC(C(NCC3=C(Cl)C(N(C4CCOCC4)C=C5C6=CC(C(N)=S)=CC=C6)=C5C=C3)=O)C2)CC1)C7=NC=CS7
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 705.33 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
Huang G, Stevens R, Hucek DG, Purohit T, Li S, Miao H, Trost E, Hewett G, Clegg B, Park SR, Rajanayake K, Wen B, Sun D, Cierpicki T, Grembecka J. Structure-Based Development of Novel Spiro-Piperidine ASH1L Inhibitors. J Med Chem. 2024 Dec 16. doi: 10.1021/acs.jmedchem.4c01673. Epub ahead of print. PMID: 39680643.