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Endo-BCN-PEG3-NH2

CAT: 0804-HY-133401-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-133401-01Size:25 mg
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Description
Endo-BCN-PEG3-NH2 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. endo-BCN-PEG3-NH2 is a click chemistry reagent, it contains a BCN group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.
CAS Number
1883512-27-3
UNSPSC
12352211
Hazard Statement
H315, H319
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/endo-bcn-peg3-nh2.html
Purity
99.64
Solubility
10 mM in DMSO
Smiles
NCCOCCOCCOCCNC(OC[C@H]1[C@@]2([H])CCC#CCC[C@@]12[H])=O
Molecular Formula
C19H32N2O5
Molecular Weight
368.47
Precautions
H315, H319
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

endo-BCN-PEG3-NH2
CAS Number1883512-27-3
PubChem CID75412390
IUPAC Name[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC19H32N2O5
Molecular Weight368.5
XLogP0.9
Topological Polar Surface Area92
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count26
Formal Charge0
Complexity455
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCN)CCC#C1
InChI
InChI=1S/C19H32N2O5/c20-7-9-23-11-13-25-14-12-24-10-8-21-19(22)26-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15,20H2,(H,21,22)/t16-,17+,18?
InChIKey
WICZFPOMYSGZNG-JWTNVVGKSA-N
Chemical Structure
2D Structure
2D structure of endo-BCN-PEG3-NH2
CAS: 1883512-27-3
CID: 75412390
Formula: C19H32N2O5
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass368.23112213
Monoisotopic Mass368.23112213
Topological Polar Surface Area92 Ų
Heavy Atom Count26
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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