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.


Chemical Structure

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M77976
CAS# 394237-61-7

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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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

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

Preparing Stock Solutions

The following data is based on the product molecular weight 296.326 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

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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.