WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H122993
CAS#: 2358775-81-0
Description: VH 101, thiol is a functionalized von-Hippel-Lindau protein ligand (VHL) for PROTAC® research and development
Hodoodo Cat#: H122993
Name: VH 101, thiol
CAS#: 2358775-81-0
Chemical Formula: C25H31FN4O4S2
Exact Mass: 534.18
Molecular Weight: 534.670
Elemental Analysis: C, 56.16; H, 5.84; F, 3.55; N, 10.48; O, 11.97; S, 11.99
Synonym: VH 101-thiol; VH 101 thiol ; VH-101 thiol
IUPAC/Chemical Name: (2S,4R)-1-((R)-2-(1-fluorocyclopropane-1-carboxamido)-3-mercapto-3-methylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
InChi Key: RCVHBJGYHDKFGZ-WSTZPKSXSA-N
InChi Code: InChI=1S/C25H31FN4O4S2/c1-14-19(36-13-28-14)16-6-4-15(5-7-16)11-27-21(32)18-10-17(31)12-30(18)22(33)20(24(2,3)35)29-23(34)25(26)8-9-25/h4-7,13,17-18,20,31,35H,8-12H2,1-3H3,(H,27,32)(H,29,34)/t17-,18+,20-/m1/s1
SMILES Code: O=C(C1(CC1)F)N[C@@H](C(C)(S)C)C(N2[C@@H](C[C@H](C2)O)C(NCC3=CC=C(C4=C(N=CS4)C)C=C3)=O)=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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 534.67 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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
Liu X, Kalogeropulou AF, Domingos S, Makukhin N, Nirujogi RS, Singh F, Shpiro N, Saalfrank A, Sammler E, Ganley IG, Moreira R, Alessi DR, Ciulli A. Discovery of XL01126: A Potent, Fast, Cooperative, Selective, Orally Bioavailable, and Blood-Brain Barrier Penetrant PROTAC Degrader of Leucine-Rich Repeat Kinase 2. J Am Chem Soc. 2022 Sep 21;144(37):16930-16952. doi: 10.1021/jacs.2c05499. Epub 2022 Aug 25. PMID: 36007011; PMCID: PMC9501899.