MedKoo Cat#: 121222 | Name: XWN05593
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Description:

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

XWN05593, also known as (S,R,S)-AHPC-PEG6-butyl chloride, is a ProTAC building block. This conjugate contains a von Hippel-Lindau (VHL)-recruiting ligand, a linker with both hydrophobic and hydrophilic moieties, and a pendant chloroalkane for reactivity with a nucleophilic group on a target ligand. When used with other protein degrader building blocks with a pendant chloro group, parallel synthesis can be used to more quickly generate ProTAC libraries that feature variation in crosslinker length, composition, and E3 ligase ligand. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

XWN05593
XWN05593
CAS#1835705-59-3

Theoretical Analysis

MedKoo Cat#: 121222

Name: XWN05593

CAS#: 1835705-59-3

Chemical Formula: C40H63ClN4O10S

Exact Mass: 826.3953

Molecular Weight: 827.47

Elemental Analysis: C, 58.06; H, 7.67; Cl, 4.28; N, 6.77; O, 19.33; S, 3.87

Price and Availability

Size Price Availability Quantity
50mg USD 825.00 2 Weeks
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Related CAS #
No Data
Synonym
(S,R,S)-AHPC-PEG6-butyl chloride
IUPAC/Chemical Name
(2S,4R)-1-((S)-2-(tert-Butyl)-27-chloro-4-oxo-6,9,12,15,18,21-hexaoxa-3-azaheptacosanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
InChi Key
XIGXWMDJELQVSW-WYMKREKISA-N
InChi Code
InChI=1S/C40H63ClN4O10S/c1-30-36(56-29-43-30)32-11-9-31(10-12-32)26-42-38(48)34-25-33(46)27-45(34)39(49)37(40(2,3)4)44-35(47)28-55-24-23-54-22-21-53-20-19-52-18-17-51-16-15-50-14-8-6-5-7-13-41/h9-12,29,33-34,37,46H,5-8,13-28H2,1-4H3,(H,42,48)(H,44,47)/t33-,34+,37-/m1/s1
SMILES Code
ClCCCCCCOCCOCCOCCOCCOCCOCC(N[C@H](C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)C(C)(C)C)=O
Appearance
To be determined
Purity
>98% (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 827.47 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