2-(2,6-Dioxopiperidin-3-yl)-4-hydroxyisoindoline-1,3-dione
Catalog: |
BB066397 |
Product Name: |
2-(2,6-Dioxopiperidin-3-yl)-4-hydroxyisoindoline-1,3-dione |
Synonyms: |
2-(2,6-Dioxo-3-piperidinyl)-4-hydroxy-1H-isoindole-1,3(2H)-dione |
IUPAC Name: | 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione |
Description: | 2-(2,6-Dioxopiperidin-3-yl)-4-hydroxyisoindoline-1,3-dione is an intermediate for the synthesis of dTAG-13 (D710020), which is a degradation tag which was tested for its efficiency at depleting FKBP12F36V -MELK(sg3R) and was found to have significantly degraded FKBP12F36V -MELK(sg3R) within 4 hours.Used in the study of cancer research. |
Molecular Weight: | 274.23 |
Molecular Formula: | C13H10N2O5 |
Canonical SMILES: | C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)O |
InChI: | InChI=1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18) |
InChI Key: | XMPJICVFSDYOEG-UHFFFAOYSA-N |
References: | Hai-Tsang Huang., eLife, 1-29, (2017). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 |
Signal Word: | Warning |
Complexity: | 503 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.05897142 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.05897142 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 104Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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