ML309

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

MedKoo CAT#: 406495

CAS#: 1355446-05-7

Description: ML309 is a potent inhibitor of R132H mutant IDH1 capable of reducing 2-hydroxyglutarate production in U87 MG glioblastoma cells. ML309 is capable of potent and selective inhibition of mutant IDH1 and effectively lowers cell-based production of 2-HG in a U87MG mutant glioblastoma cell line.

Chemical Structure

img
ML309
CAS# 1355446-05-7
Instruction

Theoretical Analysis

MedKoo Cat#: 406495
Name: ML309
CAS#: 1355446-05-7
Chemical Formula: C29H29FN4O2
Exact Mass: 484.23
Molecular Weight: 484.565
Elemental Analysis: C, 71.88; H, 6.03; F, 3.92; N, 11.56; O, 6.60

Price and Availability

Size Price Availability Quantity
10mg USD -2
25mg USD -2
50mg USD -2
100mg USD -2
200mg USD -2
500mg USD -2
1g USD -1
2g USD -1
5g USD -1
Bulk inquiry

Synonym: ML309; ML-309; ML 309.

IUPAC/Chemical Name: 2-(2-(1H-benzo[d]imidazol-1-yl)-N-(3-fluorophenyl)acetamido)-N-cyclopentyl-2-(o-tolyl)acetamide

InChi Key: GZLNOSRHZLTDMT-UHFFFAOYSA-N

InChi Code: InChI=1S/C29H29FN4O2/c1-20-9-2-5-14-24(20)28(29(36)32-22-11-3-4-12-22)34(23-13-8-10-21(30)17-23)27(35)18-33-19-31-25-15-6-7-16-26(25)33/h2,5-10,13-17,19,22,28H,3-4,11-12,18H2,1H3,(H,32,36)

SMILES Code: FC1=CC(N(C(CN2C=NC3=C2C=CC=C3)=O)C(C4=CC=CC=C4C)C(NC5CCCC5)=O)=CC=C1

Appearance: white 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, not in water

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: ML309 represents an important compound to study the role of mutant (R132H) IDH1 in cancer cells as well as the metabolic consequences of its expression. As a potent and selective inhibitor of the R132H mutant IDH1 with good cell-based activity, this compound is poised for use in various cellular contexts as well as for potential use in in vivo proof of concept models. The compound has IC50s of 96 nM and >35μM against mutant and wild-type IDH1 respectively, and a 500 nM EC50 in the cell-based 2-hydroxyglutarate production assay. Additionally, ML309 has good in vitro ADME and in vivo PK profile. Though it does not possess significant blood brain barrier (BBB) penetration in healthy mice, use in mice with compromised BBB (as is typically seen in glioblastoma) or the use in AML models is certainly warranted. As a first-in-class molecule with the aforementioned profile, we believe this compound will be quite useful to the scientific community.  (http://www.ncbi.nlm.nih.gov/books/NBK153220/#ml309.s1)   ML-309 , a Me-Too version of AGI-5198 is recently added in our website. Their chemical structures are compared side-by-side as the following:         

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 484.56 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Davis M, Pragani R, Popovici-Muller J, Gross S, Thorne N, Salituro F, Fantin V, Straley K, Su M, Dang L, Simeonov A, Shen M, Boxer MB. ML309: A potent inhibitor of R132H mutant IDH1 capable of reducing 2-hydroxyglutarate production  in U87 MG glioblastoma cells. 2012 Apr 16 [updated 2013 May 8]. Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK153220/PubMed PMID: 23905201.