WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H406827
CAS#: 2029049-79-2
Description: ML390 is a human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia. ML390 bioactivity: ER-HOX-GFP (EC50 μM) = 1.8 ± 0.6; U937 (EC50 μM) = 8.8 ± 0.8; THP-1 (EC50 μM) = 6.5 ± 0.9; DHODH (IC50, μM) = 0.56 ± 0.1. ML390 may offer insight into the mechanism of overcoming differentiation arrest, and will translate into a starting point for a much-needed new and potent treatment for patients with acute myeloid leukemia. Inhibitors of dihydroorotate dehydrogenase (DHODH) showed activity to induce differentiation in multiple animal models of AML in vitro and in vivo. DHODH inhibitors demonstrated effective at prolonging survival in animal models of leukemia.
Hodoodo Cat#: H406827
Name: ML390
CAS#: 2029049-79-2
Chemical Formula: C21H21F3N2O3
Exact Mass: 406.15
Molecular Weight: 406.405
Elemental Analysis: C, 62.06; H, 5.21; F, 14.02; N, 6.89; O, 11.81
Synonym: ML390; ML-390 ML 390.
IUPAC/Chemical Name: (R)-N-(3-oxo-3-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)propyl)-4-(trifluoromethoxy)benzamide
InChi Key: SGNRHEDBLPGDDC-GOSISDBHSA-N
InChi Code: InChI=1S/C21H21F3N2O3/c22-21(23,24)29-16-10-8-15(9-11-16)20(28)25-13-12-19(27)26-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,25,28)(H,26,27)/t18-/m1/s1
SMILES Code: O=C(NCCC(N[C@@H]1CCCC2=C1C=CC=C2)=O)C3=CC([H])=C(OC(F)(F)F)C=C3
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:
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The following data is based on the product molecular weight 406.41 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.
| 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: |
1. Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia. Timothy A. Lewis, David B. Sykes, Jason M. Law, Benito Muñoz, Joane K. Rustiguel, Maria Cristina Nonato, David T. Scadden, and Stuart L. Schreiber. Publication Date (Web): September 28, 2016 (Letter). DOI: 10.1021/acsmedchemlett.6b00316
2: Sykes DB, Haynes MK, Waller A, Garcia M, Ursu O, Gouveia KE, Sklar L, Lewis TA, Dandapani S, Munoz B, Scadden DT, Palmer M, Schreiber SL. Discovering Small Molecules that Overcome Differentiation Arrest in Acute Myeloid Leukemia. 2013. Dec 15 [updated 2015 Feb 11]. 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/NBK280053/PubMed PMID: 25834907.
