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BDP FL-PEG4-TCO

CAT: 0804-HY-141088Size: InquireDry Ice: NoHazardous: No
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CAT#:0804-HY-141088Size:Inquire
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2183473-16-5
UNSPSC Description
BDP FL-PEG4-TCO is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. BDP FL-PEG4-TCO is a click chemistry reagent, it contains a TCO group that can undergo an inverse electron demand Diels-Alder reaction (iEDDA) with molecules containing Tetrazine groups.
Target Antigen
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bdp-fl-peg4-tco.html
Solubility
10 mM in DMSO
Smiles
O=C(NCCOCCOCCOCCOCCNC(OC1CCC/C=C\CC1)=O)CCC2=CC=C(C=C(C(C)=C3)[N]4=C3C)[N-]2[B+3]4([F-])[F-]
Molecular Weight
662.57
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
Clinical Information
No Development Reported

Chemical Information

Bodipy FL-peg4-tco
CAS Number2183473-16-5
PubChem CID145710755
IUPAC Name[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC33H49BF2N4O7
Molecular Weight662.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Heavy Atom Count47
Formal Charge0
Complexity1150
SMILES
[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCCOCCOCCOCCOCCNC(=O)OC4CCC/C=C\CC4)C)C)(F)F
InChI
InChI=1S/C33H49BF2N4O7/c1-26-24-27(2)39-31(26)25-29-11-10-28(40(29)34(39,35)36)12-13-32(41)37-14-16-43-18-20-45-22-23-46-21-19-44-17-15-38-33(42)47-30-8-6-4-3-5-7-9-30/h3-4,10-11,24-25,30H,5-9,12-23H2,1-2H3,(H,37,41)(H,38,42)/b4-3-
InChIKey
FISJDIFFUFNJNS-ARJAWSKDSA-N
Chemical Structure
2D Structure
2D structure of Bodipy FL-peg4-tco
CAS: 2183473-16-5
CID: 145710755
Formula: C33H49BF2N4O7
MW: 662.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Exact Mass662.3662364
Monoisotopic Mass662.3662364
Topological Polar Surface Area112 Ų
Heavy Atom Count47
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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