MedKoo Cat#: 125071 | Name: AS 99
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Description:

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

AS 99 is a selective ASH1L histone methyltransferase inhibitor.

Chemical Structure

AS 99
CAS#2323623-93-2

Theoretical Analysis

MedKoo Cat#: 125071

Name: AS 99

CAS#: 2323623-93-2

Chemical Formula: C27H30F3N5O3S2

Exact Mass: 593.1700

Molecular Weight: 593.68

Elemental Analysis: C, 54.62; H, 5.09; F, 9.60; N, 11.80; O, 8.08; S, 10.80

Price and Availability

Size Price Availability Quantity
5mg USD 750.00 2 Weeks
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Related CAS #
No Data
Synonym
AS-99; AS 99; AS99
IUPAC/Chemical Name
N-((3-(3-carbamothioylphenyl)-1-(1-((trifluoromethyl)sulfonyl)piperidin-4-yl)-1H-indol-6-yl)methyl)-1-methylazetidine-3-carboxamide
InChi Key
VPQCHIWQHIOPQS-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H30F3N5O3S2/c1-33-14-20(15-33)26(36)32-13-17-5-6-22-23(18-3-2-4-19(12-18)25(31)39)16-35(24(22)11-17)21-7-9-34(10-8-21)40(37,38)27(28,29)30/h2-6,11-12,16,20-21H,7-10,13-15H2,1H3,(H2,31,39)(H,32,36)
SMILES Code
CN1CC(C(NCC2=CC=C3C(N(C4CCN(S(=O)(C(F)(F)F)=O)CC4)C=C3C5=CC(C(N)=S)=CC=C5)=C2)=O)C1
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 593.68 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
Rogawski DS, Deng J, Li H, Miao H, Borkin D, Purohit T, Song J, Chase J, Li S, Ndoj J, Klossowski S, Kim E, Mao F, Zhou B, Ropa J, Krotoska MZ, Jin Z, Ernst P, Feng X, Huang G, Nishioka K, Kelly S, He M, Wen B, Sun D, Muntean A, Dou Y, Maillard I, Cierpicki T, Grembecka J. Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity. Nat Commun. 2021 May 14;12(1):2792. doi: 10.1038/s41467-021-23152-6. PMID: 33990599; PMCID: PMC8121805.