MedKoo Cat#: 563785 | Name: MDK-0084

Description:

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

MDK-0084, also known as Mutant IDH1 inhibitor, is a novel potent mutant IDH1 R132H inhibitor. MDK-0084 has CAS#1429180-08-4. MDK-0084 has no formal name. For the convenience of communication, we temporally name it as MDK-0084. The last 4 digits of its CAS number was used for name. MDK-0084 was reported in patent literature WO 2017213910 (Eli Lilly and Company) and WO 2013046136 (Novartis).

Chemical Structure

MDK-0084
MDK-0084
CAS#1429180-08-4

Theoretical Analysis

MedKoo Cat#: 563785

Name: MDK-0084

CAS#: 1429180-08-4

Chemical Formula: C25H34N6O3

Exact Mass: 466.2692

Molecular Weight: 466.59

Elemental Analysis: C, 64.36; H, 7.35; N, 18.01; O, 10.29

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
Mutant IDH1 inhibitor; MDK-0084; MDK 0084; MDK0084;
IUPAC/Chemical Name
(S)-3-(2-(((S)-1-(4-((4-Acetylpiperazin-1-yl)methyl)phenyl)ethyl)amino)pyrimidin-4-yl)-4-isopropyloxazolidin-2-one
InChi Key
BEWLUEOYYPKPQL-PGRDOPGGSA-N
InChi Code
InChI=1S/C25H34N6O3/c1-17(2)22-16-34-25(33)31(22)23-9-10-26-24(28-23)27-18(3)21-7-5-20(6-8-21)15-29-11-13-30(14-12-29)19(4)32/h5-10,17-18,22H,11-16H2,1-4H3,(H,26,27,28)/t18-,22+/m0/s1
SMILES Code
O=C1OC[C@H](C(C)C)N1C2=NC(N[C@H](C3=CC=C(CN4CCN(C(C)=O)CC4)C=C3)C)=NC=C2
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 466.59 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
1: Popovici-Muller J, Lemieux RM, Artin E, Saunders JO, Salituro FG, Travins J, Cianchetta G, Cai Z, Zhou D, Cui D, Chen P, Straley K, Tobin E, Wang F, David MD, Penard-Lacronique V, Quivoron C, Saada V, de Botton S, Gross S, Dang L, Yang H, Utley L, Chen Y, Kim H, Jin S, Gu Z, Yao G, Luo Z, Lv X, Fang C, Yan L, Olaharski A, Silverman L, Biller S, Su SM, Yen K. Discovery of AG-120 (Ivosidenib): A First-in-Class Mutant IDH1 Inhibitor for the Treatment of IDH1 Mutant Cancers. ACS Med Chem Lett. 2018 Jan 19;9(4):300-305. doi: 10.1021/acsmedchemlett.7b00421. eCollection 2018 Apr 12. PubMed PMID: 29670690; PubMed Central PMCID: PMC5900343. 2: Kopinja J, Sevilla RS, Levitan D, Dai D, Vanko A, Spooner E, Ware C, Forget R, Hu K, Kral A, Spacciapoli P, Kennan R, Jayaraman L, Pucci V, Perera S, Zhang W, Fischer C, Lam MH. A Brain Penetrant Mutant IDH1 Inhibitor Provides In Vivo Survival Benefit. Sci Rep. 2017 Oct 23;7(1):13853. doi: 10.1038/s41598-017-14065-w. PubMed PMID: 29062039; PubMed Central PMCID: PMC5653818. 3: Cho YS, Levell JR, Liu G, Caferro T, Sutton J, Shafer CM, Costales A, Manning JR, Zhao Q, Sendzik M, Shultz M, Chenail G, Dooley J, Villalba B, Farsidjani A, Chen J, Kulathila R, Xie X, Dodd S, Gould T, Liang G, Heimbach T, Slocum K, Firestone B, Pu M, Pagliarini R, Growney JD. Discovery and Evaluation of Clinical Candidate IDH305, a Brain Penetrant Mutant IDH1 Inhibitor. ACS Med Chem Lett. 2017 Sep 18;8(10):1116-1121. doi: 10.1021/acsmedchemlett.7b00342. eCollection 2017 Oct 12. PubMed PMID: 29057061; PubMed Central PMCID: PMC5641959. 4: Li L, Paz AC, Wilky BA, Johnson B, Galoian K, Rosenberg A, Hu G, Tinoco G, Bodamer O, Trent JC. Treatment with a Small Molecule Mutant IDH1 Inhibitor Suppresses Tumorigenic Activity and Decreases Production of the Oncometabolite 2-Hydroxyglutarate in Human Chondrosarcoma Cells. PLoS One. 2015 Sep 14;10(9):e0133813. doi: 10.1371/journal.pone.0133813. eCollection 2015. PubMed PMID: 26368816; PubMed Central PMCID: PMC4569544.