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Biotin-C2-S-S-pyridine

CAT: 0013-GTR19237861-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237861-01Size:50 mg
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Description
Biotin-C2-S-S-pyridine is a cleavable linker designed for constructing antibody-drug conjugates (ADCs) . This reagent facilitates the bioconjugation of cytotoxic payloads for targeted delivery, enabling research into novel ADC therapeutics in both in vitro and in vivo models.
CAS Number
112247-65-1
Smiles
C (CCCC (NCCSSC1=CC=CC=N1) =O) [C@H]2[C@@]3 ([C@] (CS2) (NC (=O) N3) [H]) [H]
Molecular Formula
C17H24N4O2S3
Molecular Weight
412.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Biotin-[2-(2-pyridyldithio)ethylamide]
CAS Number112247-65-1
PubChem CID13985235
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(pyridin-2-yldisulfanyl)ethyl]pentanamide
Molecular FormulaC17H24N4O2S3
Molecular Weight412.6
XLogP1.6
Topological Polar Surface Area159
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count26
Formal Charge0
Complexity483
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSC3=CC=CC=N3)NC(=O)N2
InChI
InChI=1S/C17H24N4O2S3/c22-14(18-9-10-25-26-15-7-3-4-8-19-15)6-2-1-5-13-16-12(11-24-13)20-17(23)21-16/h3-4,7-8,12-13,16H,1-2,5-6,9-11H2,(H,18,22)(H2,20,21,23)/t12-,13-,16-/m0/s1
InChIKey
MAJOROISBURONW-XEZPLFJOSA-N
Chemical Structure
2D Structure
2D structure of Biotin-[2-(2-pyridyldithio)ethylamide]
CAS: 112247-65-1
CID: 13985235
Formula: C17H24N4O2S3
MW: 412.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight412.6
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass412.10613954
Monoisotopic Mass412.10613954
Topological Polar Surface Area159 Ų
Heavy Atom Count26
Formal Charge0
Complexity483
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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