MS 39N | CAS#unknown | MS 39 Negative control

MedKoo Cat#: 464429 | Name: MS 39N

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Description:

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

MS 39N is a Negative control for MS 39. It binds EGFR without inducing degradation.

Chemical Structure

MS 39N

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464429

Name: MS 39N

CAS#: unknown

Chemical Formula: C55H71ClFN9O7S

Exact Mass: 1055.4870

Molecular Weight: 1056.74

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

Size	Price	Availability	Quantity
5mg	USD 750.00	2 Weeks

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Related CAS #

No Data

Synonym

MS 39N; MS39N; MS-39N;

IUPAC/Chemical Name

(2R,4S)-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-YFXVFWABSA-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+/m0/s1

SMILES Code

COC1=CC2=NC=NC(NC3=CC(Cl)=C(F)C=C3)=C2C=C1OCCCN4CCN(C(CCCCCCCCCC(N[C@H](C(N5C[C@@H](O)C[C@@H]5C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)C(C)(C)C)=O)=O)CC4

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

MS 39N is a Negative control for MS 39.

In vitro activity:

The degraders 6 and 10 (MS 154) also potently inhibited the EGFR autophosphorylation (p-EGFR) and AKT phosphorylation (p-AKT), which is a downstream target of EGFR signaling pathway, in both cell lines. This study observed that the VHL-recruiting degrader 6 displayed slightly better EGFR degradation and downstream signaling inhibition effects than the CRBN-recruiting degrader 10 in HCC-827 cells, and the difference was more significant in H3255 cells. Reference: J Med Chem. 2020 Feb 13;63(3):1216-1232. https://pubmed.ncbi.nlm.nih.gov/31895569/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMSO	105.7	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 1,056.74 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.

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

Formulation protocol:

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.

In vitro protocol:

In vivo protocol:

TBD