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

MedKoo CAT#: 465511

CAS#: unknown

Description: MS99 is a novel PROTAC, degrading ALK.

Chemical Structure

CAS# unknown

Theoretical Analysis

MedKoo Cat#: 465511
Name: MS99
CAS#: unknown
Chemical Formula: C56H72ClN9O8S2
Exact Mass: 1097.4634
Molecular Weight: 1098.817
Elemental Analysis: C, 61.21; H, 6.60; Cl, 3.23; N, 11.47; O, 11.65; S, 5.84

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

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Synonym: MS99; MS 99; MS-99;

IUPAC/Chemical Name: (2S,4R)-1-((S)-2-(5-(4-(4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-5-isopropoxy-2-methylphenyl)piperidin-1-yl)-5-oxopentanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide


InChi Code: InChI=1S/C56H72ClN9O8S2/c1-32(2)74-46-28-41(34(5)26-44(46)62-55-58-29-42(57)52(64-55)61-43-14-11-12-15-47(43)76(72,73)33(3)4)38-22-24-65(25-23-38)49(69)17-13-16-48(68)63-51(56(8,9)10)54(71)66-30-40(67)27-45(66)53(70)60-35(6)37-18-20-39(21-19-37)50-36(7)59-31-75-50/h11-12,14-15,18-21,26,28-29,31-33,35,38,40,45,51,67H,13,16-17,22-25,27,30H2,1-10H3,(H,60,70)(H,63,68)(H2,58,61,62,64)/t35-,40+,45-,51+/m0/s1

SMILES Code: O=C([C@H]1N(C([C@@H](NC(CCCC(N2CCC(C3=CC(OC(C)C)=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5S(=O)(C(C)C)=O)=N4)C=C3C)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C

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

Preparing Stock Solutions

The following data is based on the product molecular weight 1098.817 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: Liu J, Chen H, Liu Y, Shen Y, Meng F, Kaniskan HÜ, Jin J, Wei W. Cancer Selective Target Degradation by Folate-Caged PROTACs. J Am Chem Soc. 2021 May 19;143(19):7380-7387. doi: 10.1021/jacs.1c00451. Epub 2021 May 10. PMID: 33970635; PMCID: PMC8219215.