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SHP2 protein degrader-1 - CAS 2624181-69-5

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SHP2 protein degrader-1 is a potent allosteric inhibitor of SHP2. SHP2 protein degrader-1 induces SHP2 degradation and cell apoptosis.

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Molecular Formula

C42H51Cl2N11O8

Molecular Weight

908.83

SHP2 protein degrader-1

- Specification
  - IUPAC Name
    
    4-[2-[2-[2-[2-[2-[4-[[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
    
    Synonyms
    
    1H-Isoindole-1,3(2H)-dione, 4-[[14-[4-[[[1-[6-amino-5-(2,3-dichlorophenyl)-2-pyrazinyl]-4-methyl-4-piperidinyl]amino]methyl]-1H-1,2,3-triazol-1-yl]-3,6,9,12-tetraoxatetradec-1-yl]amino]-2-(2,6-dioxo-3-piperidinyl)-; 4-[[14-[4-[[[1-[6-Amino-5-(2,3-dichlorophenyl)-2-pyrazinyl]-4-methyl-4-piperidinyl]amino]methyl]-1H-1,2,3-triazol-1-yl]-3,6,9,12-tetraoxatetradec-1-yl]amino]-2-(2,6-dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione; 4-((14-(4-(((1-(6-Amino-5-(2,3-dichlorophenyl)pyrazin-2-yl)-4-methylpiperidin-4-yl)amino)methyl)-1H-1,2,3-triazol-1-yl)-3,6,9,12-tetraoxatetradecyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
- Properties
  - Density
    
    1.49±0.1 g/cm3
    
    InChI Key
    
    PVZCLGQITBYVPH-UHFFFAOYSA-N
    
    InChI
    
    InChI=1S/C42H51Cl2N11O8/c1-42(10-13-53(14-11-42)33-25-47-37(38(45)49-33)29-5-2-6-30(43)36(29)44)48-24-27-26-54(52-51-27)15-17-61-19-21-63-23-22-62-20-18-60-16-12-46-31-7-3-4-28-35(31)41(59)55(40(28)58)32-8-9-34(56)50-39(32)57/h2-7,25-26,32,46,48H,8-24H2,1H3,(H2,45,49)(H,50,56,57)
    
    Canonical SMILES
    
    CC1(CCN(CC1)C2=CN=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl)NCC4=CN(N=N4)CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O
- Reference Reading
  - 1. Novel PROTACs for degradation of SHP2 protein.
    
    Zheng, M., Liu, Y., Wu, C., Yang, K., Wang, Q., Zhou, Y., Chen, L. and Li, H., 2021. Bioorganic Chemistry, 110, p.104788.
    
    Protein tyrosine phosphatase SHP2 is a member of PTPs family associated with cancer such as leukemia, non-small cell lung cancer, breast cancer, and so on. SHP2 is a promising target for drug development, and consequently it is of great significance to develop SHP2 inhibitors. Herein, we report CRBN-recruiting PROTAC molecules targeting SHP2 by connecting pomalidomide with SHP099, an allosteric inhibitor of SHP2. Among them, SP4 significantly inhibited the growth of Hela cells, compared with SHP099, its activity increased 100 times. In addition, it can significantly induce SHP2 degradation and cell apoptosis. Further study of SHP2-protac may have important significance for the treatment of SHP2 related diseases.

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Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳

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