t-Boc-N-amido-PEG3-acetic acid - CAS 462100-06-7
Catalog: |
BB026101 |
Product Name: |
t-Boc-N-amido-PEG3-acetic acid |
CAS: |
462100-06-7 |
Synonyms: |
2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-oic acid; t-Boc-N-amido-PEG3-CH2CO2H; Boc-N-amido-PEG3-CH2COOH; 5,8,11-Trioxa-2-azatridecanedioic acid 1-(1,1-dimethylethyl) ester |
IUPAC Name: | 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid |
Description: | BocNH-PEG3-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs. |
Molecular Weight: | 307.34 |
Molecular Formula: | C13H25NO7 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCOCCOCCOCC(=O)O |
InChI: | InChI=1S/C13H25NO7/c1-13(2,3)21-12(17)14-4-5-18-6-7-19-8-9-20-10-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16) |
InChI Key: | IFSMYFLQPDFUOI-UHFFFAOYSA-N |
Boiling Point: | 460.1±35.0°C at 760 mmHg |
Purity: | 97% |
Density: | 1.141±0.06 g/cm3 |
Appearance: | Viscous Liquid |
Storage: | Pure form, -20°C, 3 years; 4°C, 2 years; In solvent, -80°C, 6 months; -20°C, 1 month |
LogP: | 1.03640 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021201577-A1 | Hmg-coa reductase degradation inducing compound | 20200330 |
WO-2021155317-A1 | Asgpr-binding compounds for the degradation of extracellular proteins | 20200131 |
WO-2021155321-A2 | Compounds and uses thereof | 20200129 |
WO-2020200291-A1 | Compounds and methods of treating cancers | 20190402 |
CN-113271973-A | Complex comprising a ligand and a CEACAM5 antibody Fab fragment | 20190107 |
PMID | Publication Date | Title | Journal |
21725302 | 20110703 | Small-molecule hydrophobic tagging-induced degradation of HaloTag fusion proteins | Nature chemical biology |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.16310214 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.16310214 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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