MedKoo Cat#: 408018 | Name: M‑89 MLL inhibitor

Description:

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

M‑89 is a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein−Protein Interaction (Kd = 1.4 nM; IC50 = 25nM). M-89 binds to menin with a Kd value of 1.4 nM and effectively engages cellular menin protein at low nanomolar concentrations. M-89 inhibits cell growth in the MV4;11 and MOLM-13 leukemia cell lines carrying MLL fusion with IC50 values of 25 and 55 nM, respectively, and demonstrates >100-fold selectivity over the HL-60 leukemia cell line lacking MLL fusion.

Chemical Structure

M‑89 MLL inhibitor
M‑89 MLL inhibitor
CAS#2446155-01-5

Theoretical Analysis

MedKoo Cat#: 408018

Name: M‑89 MLL inhibitor

CAS#: 2446155-01-5

Chemical Formula: C37H47N5O4S

Exact Mass: 657.3349

Molecular Weight: 657.87

Elemental Analysis: C, 67.55; H, 7.20; N, 10.65; O, 9.73; S, 4.87

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
M‑89; M 89; M89; M‑89 (Menin-MLL inhibitor); M‑89 MLL inhibitor.
IUPAC/Chemical Name
rac-(1S,2R)-2-((S)-2-Methyl-4-(1-((1-(4-(pyridin-4-ylsulfonyl)-phenyl)azetidin-3-yl)methyl)piperidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopentyl Methyl Carbamate
InChi Key
UJKQMUJPHHFQCH-IWQNTTPNSA-N
InChi Code
InChI=1S/C37H47N5O4S/c1-40-25-28-6-3-4-7-33(28)37(26-40,34-8-5-9-35(34)39-36(43)46-2)29-16-20-41(21-17-29)22-27-23-42(24-27)30-10-12-31(13-11-30)47(44,45)32-14-18-38-19-15-32/h3-4,6-7,10-15,18-19,27,29,34-35H,5,8-9,16-17,20-26H2,1-2H3,(H,39,43)/t34-,35-,37-/m0/s1
SMILES Code
O=C(OC)N[C@@H]1[C@@H]([C@]2(C3CCN(CC4CN(C5=CC=C(S(=O)(C6=CC=NC=C6)=O)C=C5)C4)CC3)CN(C)CC7=C2C=CC=C7)CCC1
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
>3 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 657.87 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
Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein–Protein Interaction Angelo AguilarKe ZhengTianfeng XuShilin XuLiyue HuangEster Fernandez-SalasLiu LiuDenzil BernardKaitlin P. HarveyCaroline FosterDonna McEachernJeanne StuckeyKrishnapriya ChinnaswamyJames DelpropostoJeff W. KampfShaomeng Wang* Journal of Medicinal Chemistry, Articles ASAP (As Soon As Publishable)