MS21

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

Hodoodo CAT#: H130089

CAS#: 2376137-05-0

Description: MS21 is an AKT degrader with potential for treating cancer. MS21 has been shown to inhibit the tumor cell growth in cells harboring PI3K/PTEN pathway mutation

Chemical Structure

img
MS21
CAS# 2376137-05-0
Instruction

Theoretical Analysis

Hodoodo Cat#: H130089
Name: MS21
CAS#: 2376137-05-0
Chemical Formula: C58H79ClN12O6S
Exact Mass: 1,106.57
Molecular Weight: 1,107.860
Elemental Analysis: C, 62.88; H, 7.19; Cl, 3.20; N, 15.17; O, 8.66; S, 2.89

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 @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: MS21

IUPAC/Chemical Name: 4-Amino-N-((S)-1-(4-chlorophenyl)-3-(4-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecanoyl)piperazin-1-yl)propyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

InChi Key: UGJRTGFGCTUIRA-OBGAPNQASA-N

InChi Code: InChI=1S/C58H79ClN12O6S/c1-39-50(78-38-65-39)42-16-14-40(15-17-42)35-62-54(75)47-34-44(72)36-71(47)55(76)51(57(2,3)4)67-48(73)12-10-8-6-5-7-9-11-13-49(74)69-32-30-68(31-33-69)27-23-46(41-18-20-43(59)21-19-41)66-56(77)58(60)24-28-70(29-25-58)53-45-22-26-61-52(45)63-37-64-53/h14-22,26,37-38,44,46-47,51,72H,5-13,23-25,27-36,60H2,1-4H3,(H,62,75)(H,66,77)(H,67,73)(H,61,63,64)/t44-,46+,47+,51-/m1/s1

SMILES Code: O=C(C1(N)CCN(C2=C3C(NC=C3)=NC=N2)CC1)N[C@H](C4=CC=C(Cl)C=C4)CCN5CCN(C(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)=O)CC5

Appearance: To be determined

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 1,107.86 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1. Yu X, Xu J, Cahuzac KM, Xie L, Shen Y, Chen X, Liu J, Parsons RE, Jin J. Novel Allosteric Inhibitor-Derived AKT Proteolysis Targeting Chimeras (PROTACs) Enable Potent and Selective AKT Degradation in KRAS/BRAF Mutant Cells. J Med Chem. 2022 Oct 27;65(20):14237-14260. doi: 10.1021/acs.jmedchem.2c01454. Epub 2022 Oct 5. PMID: 36197750; PMCID: PMC9613624.

2. Yu X, Xu J, Shen Y, Cahuzac KM, Park KS, Dale B, Liu J, Parsons RE, Jin J. Discovery of Potent, Selective, and In Vivo Efficacious AKT Kinase Protein Degraders via Structure-Activity Relationship Studies. J Med Chem. 2022 Feb 24;65(4):3644-3666. doi: 10.1021/acs.jmedchem.1c02165. Epub 2022 Feb 4. PMID: 35119851; PMCID: PMC8900464.

3. Xu J, Yu X, Martin TC, Bansal A, Cheung K, Lubin A, Stratikopoulos E, Cahuzac KM, Wang L, Xie L, Zhou R, Shen Y, Wu X, Yao S, Qiao R, Poulikakos PI, Chen X, Liu J, Jin J, Parsons R. AKT Degradation Selectively Inhibits the Growth of PI3K/PTEN Pathway-Mutant Cancers with Wild-Type KRAS and BRAF by Destabilizing Aurora Kinase B. Cancer Discov. 2021 Dec 1;11(12):3064-3089. doi: 10.1158/2159-8290.CD-20-0815. PMID: 34301793; PMCID: PMC9056008.