endo-BCN-PEG3-Boc-amine
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Basic information
- CAS
1807501-84-3- Standard SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)OCC1C2CCC#CCCC21- InChIKey
TUOLXDJYWZRBJY-UHFFFAOYSA-N- Molecular formula
- C24H40N2O7
- Average molar mass
- 468.6 g/mol
Names & identifiers
- Preferred name
- endo-BCN-PEG3-Boc-amine
- IUPAC
- tert-butyl N-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate
- English name
- endo-BCON-PEG3-Boc-Amine
- Molecular formula
- C24H40N2O7
- Molecular weight
- 468.58
Names & synonyms
endo-BCN-PEG3-Boc-amine1807501-84-3endo-BCN-PEG3-NH-Bocbicyclo[6.1.0]non-4-yn-9-ylmethyl (2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-yl)carbamatetert-butyl N-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamatetert-butyl N-(2-{2-[2-(2-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}ethoxy)ethoxy]ethoxy}ethyl)carbamateendo-BCN-PEG3-Boc-NHendo-BCON-PEG3-Boc-Amineorb1909423C24H40N2O7HXC50184AKOS040741701
Show more names
DA-63195HY-140077CS-0114298T15225R16-00105,8,11-Trioxa-2,14-diazapentadecanedioic acid, 1-(bicyclo[6.1.0]non-4-yn-9-ylmethyl) 15-(1,1-dimethylethyl) ester
Database identifiers
- CAS
1807501-84-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 647
Physicochemical properties
- Boiling point
- 602.2 · 602.2±50.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- solubility
- Soluble in DMSO, DCM, DMF
- pka
- 12.05 · 12.05±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Descriptionendo-BCN-PEG3-Boc-amine is a click chemistry linker containing a Boc-protected amine. The protected amine can be deprotected under mild acidic conditions. The BCN group enable copper free click chemistry with azide-tagged molecules.
Usesendo-BCN-PEG3-NH-Boc is a PEG-based PROTAC linker can be used in the synthesis of PROTACs.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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