FA-S2-MS4048 | CAS#unknown | ALK PROTAC

MedKoo Cat#: 465677 | Name: FA-S2-MS4048

Description:

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

FA-S2-MS4048 is a novel folate-caged pomalidomide-based anaplastic lymphoma kinase (ALK) PROTAC, effectively degrading ALK fusion proteins in cancer cells in a FOLR1-dependent manner.

Chemical Structure

FA-S2-MS4048

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465677

Name: FA-S2-MS4048

CAS#: unknown

Chemical Formula: C72H81ClN20O15S3

Exact Mass: 1596.5041

Molecular Weight: 1598.20

Elemental Analysis: C, 54.11; H, 5.11; Cl, 2.22; N, 17.53; O, 15.02; S, 6.02

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

FA-S2-MS4048; FAS2-MS4048; FA S2-MS4048; FA-S2 MS4048; FA-S2MS4048; FAS2MS4048; FA S2 MS4048;

IUPAC/Chemical Name

N2-(4-(((2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzoyl)-N5-((1-(2-((2-((3-(4-((2-(2-(4-(4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-5-isopropoxy-2-methylphenyl)piperidin-1-yl)acetamido)ethyl)amino)-1,3-dioxoisoindolin-2-yl)-2,6-dioxopiperidine-1-carbonyl)oxy)ethyl)disulfanyl)ethyl)-1H-1,2,3-triazol-4-yl)methyl)-D-glutamine

InChi Key

CBLXNTADPMIPHX-XNDFXLPPSA-N

InChi Code

InChI=1S/C72H81ClN20O15S3/c1-39(2)108-55-32-48(41(5)31-53(55)84-71-80-36-49(73)62(86-71)82-50-10-6-7-12-56(50)111(105,106)40(3)4)42-21-25-90(26-22-42)38-58(95)76-24-23-75-51-11-8-9-47-60(51)68(101)92(66(47)99)54-18-20-59(96)93(67(54)100)72(104)107-28-30-110-109-29-27-91-37-46(88-89-91)35-78-57(94)19-17-52(69(102)103)83-64(97)43-13-15-44(16-14-43)77-33-45-34-79-63-61(81-45)65(98)87-70(74)85-63/h6-16,31-32,34,36-37,39-40,42,52,54,75,77H,17-30,33,35,38H2,1-5H3,(H,76,95)(H,78,94)(H,83,97)(H,102,103)(H2,80,82,84,86)(H3,74,79,85,87,98)/t52-,54?/m1/s1

SMILES Code

O=C(NCC1=CN(CCSSCCOC(N2C(C(N(C(C3=C4C=CC=C3NCCNC(CN5CCC(C6=CC(OC(C)C)=C(C=C6C)NC7=NC=C(C(NC8=CC=CC=C8S(C(C)C)(=O)=O)=N7)Cl)CC5)=O)=O)C4=O)CCC2=O)=O)=O)N=N1)CC[C@H](C(O)=O)NC(C9=CC=C(NCC%10=CN=C%11C(C(NC(N)=N%11)=O)=N%10)C=C9)=O

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 1,598.20 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

1: Chen H, Liu J, Kaniskan HÜ, Wei W, Jin J. Folate-Guided Protein Degradation by Immunomodulatory Imide Drug-Based Molecular Glues and Proteolysis Targeting Chimeras. J Med Chem. 2021 Aug 26;64(16):12273-12285. doi: 10.1021/acs.jmedchem.1c00901. Epub 2021 Aug 11. PMID: 34378936; PMCID: PMC8409242.