M77976

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

MedKoo CAT#: 530522

CAS#: 394237-61-7

Description: M77976 is a PDK4 inhibitor (human pyruvate dehydrogenase kinase 4). M77976 binds to the ATP-binding pocket of PDK4 and causes local conformational changes with complete disordering of the ATP lid. M77976 binding also leads to a large domain rearrangement that further expands the active-site cleft of PDK4 compared with the ADP- and AMPPNP-bound forms. Biochemical analyses revealed that M77976 inhibits PDK4 with increased potency compared with the previously characterized PDK inhibitor radicicol.


Price and Availability

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M77976 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 530522
Name: M77976
CAS#: 394237-61-7
Chemical Formula: C17H16N2O3
Exact Mass: 296.1161
Molecular Weight: 296.326
Elemental Analysis: C, 68.91; H, 5.44; N, 9.45; O, 16.20


Synonym: M77976; M-77976; M 77976.

IUPAC/Chemical Name: 4-(4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl)benzene-1,3-diol

InChi Key: GSBFARPNIZUMHA-UHFFFAOYSA-N

InChi Code: InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)

SMILES Code: COC1=CC=C(C2=C(C)NN=C2C3=CC=C(O)C=C3O)C=C1


Technical Data

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).

Harmonized System Code:
293490


References

1: Kukimoto-Niino M, Tokmakov A, Terada T, Ohbayashi N, Fujimoto T, Gomi S,
Shiromizu I, Kawamoto M, Matsusue T, Shirouzu M, Yokoyama S. Inhibitor-bound
structures of human pyruvate dehydrogenase kinase 4. Acta Crystallogr D Biol
Crystallogr. 2011 Sep;67(Pt 9):763-73. doi: 10.1107/S090744491102405X. PubMed
PMID: 21904029.