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PROTAC PTPN2 degrader-1

CAT: 0931-T74732-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74732-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2655638-07-4
Target
Others, PROTACs, Phosphatase
Related Pathways
PROTAC, Metabolism, Others
Bioactivity
PROTAC PTPN2 Degrader-1 (compound example 77) is a potent entity capable of degrading PTPN2, showing promise for research applications in cancer or metabolic diseases [1].
Smiles
Cn1c2cc(ccc2n(C2CCC(=O)NC2=O)c1=O)-c1ccc(CC(=O)Nc2ccc3c(F)c(N4CC(=O)NS4(=O)=O)c(O)cc3c2)cc1
Molecular Formula
C33H27FN6O8S
Molecular Weight
686.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Protac ptpn2 degrader-1
CAS Number2655638-07-4
PubChem CID156507515
IUPAC Name2-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]phenyl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide
Molecular FormulaC33H27FN6O8S
Molecular Weight686.7
XLogP2
Topological Polar Surface Area194
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count49
Formal Charge0
Complexity1470
SMILES
CN1C2=C(C=CC(=C2)C3=CC=C(C=C3)CC(=O)NC4=CC5=CC(=C(C(=C5C=C4)F)N6CC(=O)NS6(=O)=O)O)N(C1=O)C7CCC(=O)NC7=O
InChI
InChI=1S/C33H27FN6O8S/c1-38-25-14-19(6-9-23(25)40(33(38)46)24-10-11-27(42)36-32(24)45)18-4-2-17(3-5-18)12-28(43)35-21-7-8-22-20(13-21)15-26(41)31(30(22)34)39-16-29(44)37-49(39,47)48/h2-9,13-15,24,41H,10-12,16H2,1H3,(H,35,43)(H,37,44)(H,36,42,45)
InChIKey
SVEZXFBVLPICRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Protac ptpn2 degrader-1
CAS: 2655638-07-4
CID: 156507515
Formula: C33H27FN6O8S
MW: 686.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight686.7
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass686.15951118
Monoisotopic Mass686.15951118
Topological Polar Surface Area194 Ų
Heavy Atom Count49
Formal Charge0
Complexity1470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-148691-01PROTAC PTPN2 degrader-1
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HY-153938APROTAC PTPN2 degrader-2 (TFA)
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