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DBCO-Biotin

CAT: 0013-GTR19215659-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215659-01Size:1 mg
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Description
DBCO-Biotin is an alkyl chain-based linker used in the construction of PROTACs and other bifunctional molecules. It enables bioorthogonal conjugation via its DBCO moiety and subsequent detection or purification through biotin-streptavidin interaction, facilitating both in vitro and in vivo target engagement studies.
CAS Number
1418217-95-4
Product Name Alternative
Azadibenzocyclooctyne-Biotin conjugate, Alkyl-Chain, DBCO-Biotin, PROTAC Linker, PROTACLinker
Field of Research
Pharmacology & Drug Discovery
Purity
99.52% (May vary between batches)
Smiles
C (CCNC (CCCC[C@H]1[C@@]2 ([C@] (CS1) (NC (=O) N2) [H]) [H]) =O) (=O) N3C=4C (C#CC=5C (C3) =CC=CC5) =CC=CC4
Molecular Formula
C28H30N4O3S
Molecular Weight
502.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DBCO-Biotin
CAS Number1418217-95-4
PubChem CID121235600
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]pentanamide
Molecular FormulaC28H30N4O3S
Molecular Weight502.6
XLogP2.7
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity898
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2
InChI
InChI=1S/C28H30N4O3S/c33-25(12-6-5-11-24-27-22(18-36-24)30-28(35)31-27)29-16-15-26(34)32-17-21-9-2-1-7-19(21)13-14-20-8-3-4-10-23(20)32/h1-4,7-10,22,24,27H,5-6,11-12,15-18H2,(H,29,33)(H2,30,31,35)/t22-,24-,27-/m0/s1
InChIKey
ODZDNKWGVJPVBP-DPPGTGKWSA-N
Chemical Structure
2D Structure
2D structure of DBCO-Biotin
CAS: 1418217-95-4
CID: 121235600
Formula: C28H30N4O3S
MW: 502.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.6
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass502.20386201
Monoisotopic Mass502.20386201
Topological Polar Surface Area116 Ų
Heavy Atom Count36
Formal Charge0
Complexity898
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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