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DBCO-S-S-PEG3-biotin - CAS 1430408-09-5

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DBCO-S-S-PEG3-biotin is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-S-S-PEG3-biotin can be used in the synthesis of a series of PROTACs.

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Molecular Formula

C₄₂H₅₆N₆O₈S₃

Molecular Weight

869.12

DBCO-S-S-PEG3-biotin

- Specification
  - Purity
    
    >99%
    
    Solubility
    
    In DMSO: 100 mg/mL (115.06 mM; Need ultrasonic)
    
    Appearance
    
    Transparent Liquid
    
    Storage
    
    Please store the product under the recommended conditions in the Certificate of Analysis.
    
    Shipping
    
    Room temperature in continental US; may vary elsewhere.
    
    IUPAC Name
    
    5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethyldisulfanyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
    
    Synonyms
    
    Azadibenzocyclooctyne-S-S-PEG3-biotin conjugate
- Properties
  - Boiling Point
    
    1194.2±65.0 °C at 760 mmHg
    
    Density
    
    1.3±0.1 g/cm3
    
    InChI Key
    
    ZJVGOGQIAYMKAS-MZOCQUDTSA-N
    
    InChI
    
    InChI=1S/C42H56N6O8S3/c49-37(12-6-5-11-36-41-34(30-57-36)46-42(53)47-41)43-18-21-54-23-25-56-26-24-55-22-19-44-39(51)17-27-58-59-28-20-45-38(50)15-16-40(52)48-29-33-9-2-1-7-31(33)13-14-32-8-3-4-10-35(32)48/h1-4,7-10,34,36,41H,5-6,11-12,15-30H2,(H,43,49)(H,44,51)(H,45,50)(H2,46,47,53)/t34-,36-,41-/m0/s1
    
    Canonical SMILES
    
    C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCNC(=O)CCSSCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2
- Preparing Stock Solutions
  - ConcentrationVolumeMass 1 mg 5 mg 10 mg
    
    1 mM 1.1506 mL 5.7529 mL 11.5059 mL
    
    5 mM 0.2301 mL 1.1506 mL 2.3012 mL
    
    10 mM 0.1151 mL 0.5753 mL 1.1506 mL

ConcentrationVolumeMass	1 mg	5 mg	10 mg
1 mM	1.1506 mL	5.7529 mL	11.5059 mL
5 mM	0.2301 mL	1.1506 mL	2.3012 mL
10 mM	0.1151 mL	0.5753 mL	1.1506 mL

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