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TAMRA-Azide-PEG-biotin

CAT: 0931-T16981-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T16981-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1797415-74-7
Target
Others
Related Pathways
Others
Bioactivity
TAMRA-Azide-PEG-biotin is a PEG-based linker for PROTACs, joining two essential ligands. This linker facilitates selective protein degradation by utilizing the ubiquitin-proteasome system within cells.
Smiles
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCC(=O)NCCOCCOCCOCCNC(=O)CCCCC3CC4NC(=O)NC4S3)c3ccc(cc3[o+]c2c1)N(C)C.CN(C)c1ccc2c(-c3cc(ccc3C([O-])=O)C(=O)NCCC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCC(=O)NCCOCCOCCOCCNC(=O)CCCCC3CC4NC(=O)NC4S3)c3ccc(cc3[o+]c2c1)N(C)C
Molecular Formula
C114H158N22O28S2
Molecular Weight
2348.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TAMRA-Azide-PEG-Biotin
CAS Number1797415-74-7
PubChem CID146026259
IUPAC Name4-[[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[3-oxo-3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,5,6,6a-hexahydrothieno[2,3-d]imidazol-5-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]propyl]amino]-3-oxopropyl]carbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;5-[[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[3-oxo-3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,5,6,6a-hexahydrothieno[2,3-d]imidazol-5-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]propyl]amino]-3-oxopropyl]carbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
Molecular FormulaC114H158N22O28S2
Molecular Weight2348.7
Topological Polar Surface Area599
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count36
Rotatable Bond Count76
Heavy Atom Count166
Formal Charge0
Complexity4530
SMILES
CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCC(=O)N(CCC(=O)NCCOCCOCCOCCNC(=O)CCCCC5CC6C(S5)NC(=O)N6)CCOCCOCCOCCN=[N+]=[N-])C(=O)[O-].CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)NCCC(=O)N(CCC(=O)NCCOCCOCCOCCNC(=O)CCCCC5CC6C(S5)NC(=O)N6)CCOCCOCCOCCN=[N+]=[N-])C(=O)[O-]
InChI
InChI=1S/2C57H79N11O14S/c1-66(2)40-10-13-44-48(36-40)82-49-37-41(67(3)4)11-14-45(49)53(44)46-35-39(9-12-43(46)56(73)74)54(72)61-17-15-52(71)68(22-26-79-30-34-81-33-29-78-25-20-62-65-58)21-16-51(70)60-19-24-77-28-32-80-31-27-76-23-18-59-50(69)8-6-5-7-42-38-47-55(83-42)64-57(75)63-47;1-66(2)40-10-13-44-48(36-40)82-49-37-41(67(3)4)11-14-45(49)53(44)43-12-9-39(35-46(43)56(73)74)54(72)61-17-15-52(71)68(22-26-79-30-34-81-33-29-78-25-20-62-65-58)21-16-51(70)60-19-24-77-28-32-80-31-27-76-23-18-59-50(69)8-6-5-7-42-38-47-55(83-42)64-57(75)63-47/h2*9-14,35-37,42,47,55H,5-8,15-34,38H2,1-4H3,(H5-,59,60,61,63,64,69,70,72,73,74,75)
InChIKey
OLNZJSRKGRJBHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TAMRA-Azide-PEG-Biotin
CAS: 1797415-74-7
CID: 146026259
Formula: C114H158N22O28S2
MW: 2348.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight2348.7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count36
Rotatable Bond Count76
Exact Mass2348.1090897
Monoisotopic Mass2347.1057348
Topological Polar Surface Area599 Ų
Heavy Atom Count166
Formal Charge0
Complexity4530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes