MedKoo Cat#: 407493 | Name: MM-589 TFA salt

Description:

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

MM-589 is a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)−Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. MM-589 binds to WDR5 with an IC50 value of 0.90 nM (Ki value <1 nM) and inhibits the MLL H3K4 methyltransferase (HMT) activity with an IC50 value of 12.7 nM. MM-589 potently and selectively inhibits cell growth in human leukemia cell lines harboring MLL translocations and is >40 times better than the previously reported compound MM-401. MM-589 represents the most potent inhibitor of the WDR5−MLL interaction reported to date, and further optimization of MM-589 may yield a new therapy for acute leukemia.

Chemical Structure

MM-589 TFA salt
CAS#2097887-21-1 (TFA salt)

Theoretical Analysis

MedKoo Cat#: 407493

Name: MM-589 TFA salt

CAS#: 2097887-21-1 (TFA salt)

Chemical Formula: C30H45F3N8O7

Exact Mass:

Molecular Weight: 686.73

Elemental Analysis: C, 52.47; H, 6.61; F, 8.30; N, 16.32; O, 16.31

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 #
2097887-20-0 (free base) 2097887-21-1 (TFA salt)
Synonym
MM-589; MM 589; MM589.
IUPAC/Chemical Name
N-((3R,6S,9S,12R)-6-Ethyl-12-methyl-9-(3-(3-methylguanidino)-propyl)-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan- 12-yl)isobutyramide trifluoroacetic acid
InChi Key
NARXNZHWAWPJIY-HTCBAMNXSA-N
InChi Code
InChI=1S/C28H44N8O5.C2HF3O2/c1-6-19-23(38)35-21(18-11-8-7-9-12-18)25(40)31-16-14-28(4,36-22(37)17(2)3)26(41)34-20(24(39)33-19)13-10-15-32-27(29)30-5;3-2(4,5)1(6)7/h7-9,11-12,17,19-21H,6,10,13-16H2,1-5H3,(H,31,40)(H,33,39)(H,34,41)(H,35,38)(H,36,37)(H3,29,30,32);(H,6,7)/t19-,20-,21+,28+;/m0./s1
SMILES Code
CC(C)C(N[C@@]1(C)C(N[C@@H](CCCNC(NC)=N)C(N[C@@H](CC)C(N[C@H](C2=CC=CC=C2)C(NCC1)=O)=O)=O)=O)=O.O=C(O)C(F)(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

Preparing Stock Solutions

The following data is based on the product molecular weight 686.73 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
Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)–Mixed Lineage Leukemia (MLL) Protein–Protein Interaction Hacer Karatas, Yangbing Li, Liu Liu, Jiao Ji, Shirley Lee, Yong Chen, Jiuling Yang, Liyue Huang, Denzil Bernard, Jing Xu, Elizabeth C. Townsend, Fang Cao, Xu Ran, Xiaoqin Li, Bo Wen, Duxin Sun, Jeanne A Stuckey, Ming Lei, Yali Dou, and Shaomeng Wang Publication Date (Web): June 12, 2017 (Article) DOI: 10.1021/acs.jmedchem.6b01796