MedKoo Cat#: 466229 | Name: MD13

Description:

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

MD13, also known as MIF degrader MD13, is a potent MIF (macrophage migration inhibitory factor) Degrader (PROTAC®) (DC50 < 100 nM; Dmax = 92% after 6 h). MD13 comprises the cereblon ligand Pomalidomide joined by a linker to a MIF inhibitor. MD13 reduces MIF levels, arrests cells at the G2/M phase and inhibits proliferation of A549 lung carcinoma cells. Growth of A549 cell 3D spheroids is also inhibited by MDF13.

Chemical Structure

MD13
MD13
CAS#2758431-97-7

Theoretical Analysis

MedKoo Cat#: 466229

Name: MD13

CAS#: 2758431-97-7

Chemical Formula: C35H35N5O8

Exact Mass: 653.2486

Molecular Weight: 653.69

Elemental Analysis: C, 64.31; H, 5.40; N, 10.71; O, 19.58

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Synonym
MD13; MD 13; MD-13; MIF degrader MD13;
IUPAC/Chemical Name
8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-N-(4-(7-hydroxy-2-oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)phenyl)octanamide
InChi Key
HAHDZDUOFHMMEA-UHFFFAOYSA-N
InChi Code
InChI=1S/C35H35N5O8/c41-24-15-10-21-20-39(35(47)48-28(21)19-24)23-13-11-22(12-14-23)37-29(42)9-4-2-1-3-5-18-36-26-8-6-7-25-31(26)34(46)40(33(25)45)27-16-17-30(43)38-32(27)44/h6-8,10-15,19,27,36,41H,1-5,9,16-18,20H2,(H,37,42)(H,38,43,44)
SMILES Code
O=C1N(C2=CC=C(NC(CCCCCCCNC3=C(C(N(C4CCC(NC4=O)=O)C5=O)=O)C5=CC=C3)=O)C=C2)CC6=CC=C(O)C=C6O1
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
Solvent mg/mL mM
Solubility
DMSO 65.4 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 653.69 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: Xiao Z, Song S, Chen D, van Merkerk R, van der Wouden PE, Cool RH, Quax WJ, Poelarends GJ, Melgert BN, Dekker FJ. Proteolysis Targeting Chimera (PROTAC) for Macrophage Migration Inhibitory Factor (MIF) Has Anti-Proliferative Activity in Lung Cancer Cells. Angew Chem Int Ed Engl. 2021 Aug 2;60(32):17514-17521. doi: 10.1002/anie.202101864. Epub 2021 Jun 26. PMID: 34018657; PMCID: PMC8362126.