MedKoo Cat#: 123165 | Name: Bis-sulfone-PEG4-DBCO
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Bis-sulfone-PEG4-DBCO is a PEG-based PROTAC linker.

Chemical Structure

Bis-sulfone-PEG4-DBCO
Bis-sulfone-PEG4-DBCO
CAS#1854034-70-0

Theoretical Analysis

MedKoo Cat#: 123165

Name: Bis-sulfone-PEG4-DBCO

CAS#: 1854034-70-0

Chemical Formula: C54H59N3O12S2

Exact Mass: 1005.3500

Molecular Weight: 1006.20

Elemental Analysis: C, 64.46; H, 5.91; N, 4.18; O, 19.08; S, 6.37

Price and Availability

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10mg USD 550.00 2 Weeks
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Synonym
Bis-sulfone-PEG4-DBCO
IUPAC/Chemical Name
N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzamide
InChi Key
ADIRLUISORIXON-UHFFFAOYSA-N
InChi Code
InChI=1S/C54H59N3O12S2/c1-40-11-21-48(22-12-40)70(62,63)38-47(39-71(64,65)49-23-13-41(2)14-24-49)53(60)44-17-19-45(20-18-44)54(61)56-28-30-67-32-34-69-36-35-68-33-31-66-29-26-51(58)55-27-25-52(59)57-37-46-9-4-3-7-42(46)15-16-43-8-5-6-10-50(43)57/h3-14,17-24,47H,25-39H2,1-2H3,(H,55,58)(H,56,61)
SMILES Code
O=C(C1=CC=C(C(C(CS(=O)(C2=CC=C(C)C=C2)=O)CS(=O)(C3=CC=C(C)C=C3)=O)=O)C=C1)NCCOCCOCCOCCOCCC(NCCC(N4C5=C(C#CC6=C(C4)C=CC=C6)C=CC=C5)=O)=O
Appearance
To be determined
Purity
>95% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,006.20 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL