t-Boc-N-amido-PEG4-amine - CAS 811442-84-9
Catalog: |
BB036612 |
Product Name: |
t-Boc-N-amido-PEG4-amine |
CAS: |
811442-84-9 |
Synonyms: |
Boc-NH-PEG4-CH2CH2NH2; NHBoc-PEG4-amine; O-(2-Aminoethyl)-O'-[2-(Boc-amino)ethyl]triethylene Glycol; 16-Amino-5,8,11,14-tetraoxa-2-azahexadecanoic Acid 1,1-Dimethylethyl Ester; tert-Butyl (14-amino-3,6,9,12-tetraoxatetradecyl)carbamate; N1-Boc-3,6,9,12-tetraoxatetradecane-1,14-diamine; BocNH-PEG4-NH2; 5,8,11,14-Tetraoxa-2-azahexadecanoic acid, 16-amino-, 1,1-dimethylethyl ester |
Related CAS: | 890091-42-6 (polymer) 198227-38-2 (polymer) |
IUPAC Name: | tert-butyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate |
Description: | t-Boc-N-amido-PEG4-amine is a cleavable 4-unit PEG linker used in the synthesis of antibody-drug conjugates (ADCs). |
Molecular Weight: | 336.42 |
Molecular Formula: | C15H32N2O6 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCOCCOCCOCCOCCN |
InChI: | InChI=1S/C15H32N2O6/c1-15(2,3)23-14(18)17-5-7-20-9-11-22-13-12-21-10-8-19-6-4-16/h4-13,16H2,1-3H3,(H,17,18) |
InChI Key: | WCNWLERBLMBSOT-UHFFFAOYSA-N |
Boiling Point: | 443.9±40.0 °C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.059±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow or Colorless Oily Liquid |
Storage: | Store at 2-8°C, protect from light |
MDL: | MFCD16619339 |
LogP: | 1.62740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113480453-A | Synthesis method of NH2-PEG5-NHBoc | 20210809 |
WO-2021152113-A1 | Substituted 2,3-benzodiazepines derivatives | 20200131 |
WO-2021066873-A1 | Condensed heterocycles as bcl-2 inhibitors | 20191003 |
CN-112409376-A | Protein degradation targeting chimera based on DCAF15, and preparation method and application thereof | 20190820 |
WO-2021022076-A1 | Molecules and methods related to treatment of uncontrolled cellular proliferation | 20190801 |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 336.22603674 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 336.22603674 |
Rotatable Bond Count: | 16 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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