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Endo-BCN-PEG2-NH2

CAT: 0804-HY-W072752-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W072752-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Endo-BCN-PEG2-NH2 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. endo-BCN-PEG2-NH2 contains a BCN group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.
CAS Number
1263166-93-3
UNSPSC
12352211
Hazard Statement
H315, H319, H335
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-peg2-nh2.html
Purity
99.86
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
NCCOCCOCCNC(OC[C@H]1[C@@]2([H])CCC#CCC[C@@]12[H])=O
Molecular Formula
C17H28N2O4
Molecular Weight
324.42
Precautions
H315, H319, H335
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
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

N-(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethyloxycarbonyl-1,8-diamino-3,6-dioxaoctane
CAS Number1263166-93-3
PubChem CID75412389
IUPAC Name[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
Molecular FormulaC17H28N2O4
Molecular Weight324.4
XLogP1.1
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity411
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCN)CCC#C1
InChI
InChI=1S/C17H28N2O4/c18-7-9-21-11-12-22-10-8-19-17(20)23-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13,18H2,(H,19,20)/t14-,15+,16?
InChIKey
YZGOWXGENSKDSE-XYPWUTKMSA-N
Chemical Structure
2D Structure
2D structure of N-(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethyloxycarbonyl-1,8-diamino-3,6-dioxaoctane
CAS: 1263166-93-3
CID: 75412389
Formula: C17H28N2O4
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass324.20490738
Monoisotopic Mass324.20490738
Topological Polar Surface Area82.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity411
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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