MS39
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 533718

CAS#: unknown

Description: MS39 is a novel E3 ligase von Hippel-Lindau-recruiting EGFR degrader.


Chemical Structure

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MS39
CAS# unknown

Theoretical Analysis

MedKoo Cat#: 533718
Name: MS39
CAS#: unknown
Chemical Formula: C55H71ClFN9O7S
Exact Mass: 1055.487
Molecular Weight: 1056.7374
Elemental Analysis: C, 62.51; H, 6.77; Cl, 3.35; F, 1.80; N, 11.93; O, 10.60; S, 3.03

Price and Availability

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5.0mg USD 530.0 2 Weeks
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Synonym: MS39; MS-39; MS 39;

IUPAC/Chemical Name: (2S,4R)-1-((S)-2-(11-(4-(3-((4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-11-oxoundecanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

InChi Key: HLFLODKZIGYHNR-LTEFSYCBSA-N

InChi Code: InChI=1S/C55H71ClFN9O7S/c1-36-50(74-35-61-36)38-18-16-37(17-19-38)32-58-53(70)45-29-40(67)33-66(45)54(71)51(55(2,3)4)63-48(68)14-11-9-7-6-8-10-12-15-49(69)65-25-23-64(24-26-65)22-13-27-73-47-30-41-44(31-46(47)72-5)59-34-60-52(41)62-39-20-21-43(57)42(56)28-39/h16-21,28,30-31,34-35,40,45,51,67H,6-15,22-27,29,32-33H2,1-5H3,(H,58,70)(H,63,68)(H,59,60,62)/t40-,45+,51-/m1/s1

SMILES Code: O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCC(N2CCN(CCCOC3=CC4=C(NC5=CC=C(F)C(Cl)=C5)N=CN=C4C=C3OC)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6

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

Preparing Stock Solutions

The following data is based on the product molecular weight 1056.7374 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: Cheng M, Yu X, Lu K, Xie L, Wang L, Meng F, Han X, Chen X, Liu J, Xiong Y, Jin J. Discovery of Potent and Selective Epidermal Growth Factor Receptor (EGFR) Bifunctional Small-Molecule Degraders. J Med Chem. 2020 Feb 13;63(3):1216-1232. doi: 10.1021/acs.jmedchem.9b01566. Epub 2020 Jan 14. PMID: 31895569; PMCID: PMC7318554.

MS39

5.0mg / USD 530.0