Products for Research Use Only

Bromoacetamido-PEG5-DOTA

CAT: 0013-GTR19225767-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225767-01Size:100 mg
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Description
Bromoacetamido-PEG5-DOTA is a heterobifunctional linker used in constructing PROTACs for targeted protein degradation. Its DOTA chelator enables radiolabeling for in vitro and in vivo studies, including imaging and biodistribution analysis in cancer research.
CAS Number
2353410-19-0
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Smiles
O=C (O) CN1CCN (CC (=O) O) CCN (CC (=O) NCCOCCOCCOCCOCCOCCNC (=O) CBr) CCN (CC (=O) O) CC1
Molecular Formula
C30H55BrN6O13
Molecular Weight
787.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bromoacetamido-PEG5-DOTA
CAS Number2353410-19-0
PubChem CID134811414
IUPAC Name2-[4-[2-[2-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular FormulaC30H55BrN6O13
Molecular Weight787.7
XLogP-9.2
Topological Polar Surface Area229
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count17
Rotatable Bond Count27
Heavy Atom Count50
Formal Charge0
Complexity938
SMILES
C1CN(CCN(CCN(CCN1CC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CBr)CC(=O)O)CC(=O)O)CC(=O)O
InChI
InChI=1S/C30H55BrN6O13/c31-21-26(38)32-1-11-46-13-15-48-17-19-50-20-18-49-16-14-47-12-2-33-27(39)22-34-3-5-35(23-28(40)41)7-9-37(25-30(44)45)10-8-36(6-4-34)24-29(42)43/h1-25H2,(H,32,38)(H,33,39)(H,40,41)(H,42,43)(H,44,45)
InChIKey
XWMVMZLIYSCGHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromoacetamido-PEG5-DOTA
CAS: 2353410-19-0
CID: 134811414
Formula: C30H55BrN6O13
MW: 787.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight787.7
XLogP3-9.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count17
Rotatable Bond Count27
Exact Mass786.30105
Monoisotopic Mass786.30105
Topological Polar Surface Area229 Ų
Heavy Atom Count50
Formal Charge0
Complexity938
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes