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TAMRA-PEG3-biotin

CAT: 0804-HY-140946Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140946Size:1 Each
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Description
TAMRA-PEG3-biotin is a dye derivative of TAMRA containing 3 PEG units. TAMRA-PEG3-biotin is tagged with biotin.
CAS Number
2279944-59-9
UNSPSC
12171500
Hazard Statement
H302-H315-H319-H335
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tamra-peg3-biotin.html
Solubility
10 mM in DMSO
Smiles
O=C1OC2(C3=CC=C(N(C)C)C=C3OC4=CC(N(C)C)=CC=C24)C5=CC=C(C(NCCOCCOCCOCCNC(CCCCC6C(NC7=O)C(N7)CS6)=O)=O)C=C15
Molecular Formula
C43H54N6O9S
Molecular Weight
830.99
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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
Scientific Category
Dye Reagents
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

TAMRA-PEG3-biotin
CAS Number2279944-59-9
PubChem CID137334008
IUPAC Name3',6'-bis(dimethylamino)-3-oxo-N-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethyl]spiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
Molecular FormulaC43H54N6O9S
Molecular Weight831.0
XLogP3.1
Topological Polar Surface Area194
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Heavy Atom Count59
Formal Charge0
Complexity1410
SMILES
CN(C)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)NCCOCCOCCOCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)C(=O)O3)C7=C(O2)C=C(C=C7)N(C)C
InChI
InChI=1S/C43H54N6O9S/c1-48(2)28-10-13-32-35(24-28)57-36-25-29(49(3)4)11-14-33(36)43(32)31-12-9-27(23-30(31)41(52)58-43)40(51)45-16-18-55-20-22-56-21-19-54-17-15-44-38(50)8-6-5-7-37-39-34(26-59-37)46-42(53)47-39/h9-14,23-25,34,37,39H,5-8,15-22,26H2,1-4H3,(H,44,50)(H,45,51)(H2,46,47,53)
InChIKey
BWYKRFATNNMLLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TAMRA-PEG3-biotin
CAS: 2279944-59-9
CID: 137334008
Formula: C43H54N6O9S
MW: 831.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight831.0
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Exact Mass830.36729849
Monoisotopic Mass830.36729849
Topological Polar Surface Area194 Ų
Heavy Atom Count59
Formal Charge0
Complexity1410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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