WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 121180
CAS#: 2421187-97-3
Description: XDN87973, also known as (S,R,S)-AHPC-C6-PEG3-butyl alkyne, is a ProTAC building block. This conjugate contains a von Hippel-Lindau (VHL)-recruiting ligand. When used with other protein degrader building blocks with a pendant alkyne group, parallel synthesis can be used to more quickly generate ProTAC libraries that feature variation in crosslinker length, composition, and E3 ligase ligand.
MedKoo Cat#: 121180
Name: XDN87973
CAS#: 2421187-97-3
Chemical Formula: C40H60N4O7S
Exact Mass: 740.4183
Molecular Weight: 741.0
Elemental Analysis: C, 64.84; H, 8.16; N, 7.56; O, 15.11; S, 4.33
Synonym: (S,R,S)-AHPC-C6-PEG3-butyl alkyne
IUPAC/Chemical Name: (2S,4R)-1-((S)-2-(tert-Butyl)-4-oxo-10,13,16-trioxa-3-azatetracos-23-ynoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
InChi Key: XKMJXZYXXAZXBT-DHMQVLRUSA-N
InChi Code: InChI=1S/C40H60N4O7S/c1-6-7-8-9-10-13-20-49-22-24-51-25-23-50-21-14-11-12-15-35(46)43-37(40(3,4)5)39(48)44-28-33(45)26-34(44)38(47)41-27-31-16-18-32(19-17-31)36-30(2)42-29-52-36/h1,16-19,29,33-34,37,45H,7-15,20-28H2,2-5H3,(H,41,47)(H,43,46)/t33-,34-,37-/m1/s1
SMILES Code: O=C(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)CCCCCOCCOCCOCCCCCCC#C
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
The following data is based on the product molecular weight 741.0 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.
| 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 |
