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Biotin-TEG-ATFBA

CAT: 0804-HY-151672-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-151672-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Biotin-TEG-ATFBA is a click chemistry reagent containing a perfluorophenylazide group. Biotin-TEG-ATFBA forms a highly stable azene intermediate that undergoes insertion and addition reactions (non-intermolecular rearrangement) in moderate to good yields after photolysis. It contains an azide group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing alkyne groups. It can also undergo ring strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing DBCO or BCN groups.
CAS Number
1264662-85-2
UNSPSC
12352005
Target
ADC Linker
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/biotin-teg-atfba.html
Purity
99.09
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(C(F)=C(C(F)=C1F)N=[N+]=[N-])F)NCCCOCCOCCOCCCNC(CCCC[C@H]2[C@]3([H])[C@](NC(N3)=O)([H])CS2)=O
Molecular Formula
C27H37F4N7O6S
Molecular Weight
663.68
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Biotin-teg-atfba
CAS Number1264662-85-2
PubChem CID99713857
IUPAC NameN-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-azido-2,3,5,6-tetrafluorobenzamide
Molecular FormulaC27H37F4N7O6S
Molecular Weight663.7
XLogP2.7
Topological Polar Surface Area167
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count21
Heavy Atom Count45
Formal Charge0
Complexity987
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C3=C(C(=C(C(=C3F)F)N=[N+]=[N-])F)F)NC(=O)N2
InChI
InChI=1S/C27H37F4N7O6S/c28-20-19(21(29)23(31)25(22(20)30)37-38-32)26(40)34-8-4-10-43-12-14-44-13-11-42-9-3-7-33-18(39)6-2-1-5-17-24-16(15-45-17)35-27(41)36-24/h16-17,24H,1-15H2,(H,33,39)(H,34,40)(H2,35,36,41)/t16-,17-,24-/m0/s1
InChIKey
GHQODKUWTHCHCF-UAVUOLJFSA-N
Chemical Structure
2D Structure
2D structure of Biotin-teg-atfba
CAS: 1264662-85-2
CID: 99713857
Formula: C27H37F4N7O6S
MW: 663.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight663.7
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count21
Exact Mass663.24621575
Monoisotopic Mass663.24621575
Topological Polar Surface Area167 Ų
Heavy Atom Count45
Formal Charge0
Complexity987
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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