WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 121228
CAS#: Unknown
Description: GCN00628, also known as (S,R,S)-VL285 Phenol-C2-NH2 hydrochloride, is a ProTAC building block. This conjugate contains a von Hippel-Lindau (VHL)-recruiting ligand with alternative exit vector from the widely used VH032, an alkyl-chain crosslinker, and a pendant amine for reactivity with a carboxylic acid on the target ligand. When used with other protein degrader building blocks with a terminal amine, parallel synthesis can be used more quickly to 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).
MedKoo Cat#: 121228
Name: GCN00628
CAS#: Unknown
Chemical Formula: C31H38ClN5O5S
Exact Mass: 627.2282
Molecular Weight: 628.19
Elemental Analysis: C, 59.27; H, 6.10; Cl, 5.64; N, 11.15; O, 12.73; S, 5.10
Synonym: (S,R,S)-VL285 Phenol-C2-NH2 hydrochloride
IUPAC/Chemical Name: (2S,4R)-N-(2-(2-Aminoethoxy)-4-(4-methylthiazol-5-yl)benzyl)-4-hydroxy-1-((S)-3-methyl-2-(1-oxoisoindolin-2-yl)butanoyl)pyrrolidine-2-carboxamide hydrochloride
InChi Key: GWGWARKYOYZLCJ-CIAVLQSYSA-N
InChi Code: InChI=1S/C31H37N5O5S.ClH/c1-18(2)27(36-15-22-6-4-5-7-24(22)30(36)39)31(40)35-16-23(37)13-25(35)29(38)33-14-21-9-8-20(12-26(21)41-11-10-32)28-19(3)34-17-42-28;/h4-9,12,17-18,23,25,27,37H,10-11,13-16,32H2,1-3H3,(H,33,38);1H/t23-,25+,27+;/m1./s1
SMILES Code: O=C1N([C@H](C(N(C2)[C@H](C(NCC3=CC=C(C=C3OCCN)C(SC=N4)=C4C)=O)C[C@H]2O)=O)C(C)C)CC5=C1C=CC=C5.Cl
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 628.19 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 |
