WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 465937
CAS#: unknown
Description: W-1-5 is a novel monodentate-galactose prodrug of W-105, releasing the antitumor pharmacophore in the presence of GSH (mimic the condition of the tumor cell) and maintaining the low-toxic structures in the absence of GSH (mimic the condition of the normal cell).
MedKoo Cat#: 465937
Name: W-1-5
CAS#: unknown
Chemical Formula: C48H61N9O10S2
Exact Mass: 987.3983
Molecular Weight: 988.189
Elemental Analysis: C, 58.34; H, 6.22; N, 12.76; O, 16.19; S, 6.49
This product is not in stock, which may be available by custom synthesis.
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Synonym: W-1-5; W1-5; W 1-5; W-15; W-1 5; W15; W 1 5;
IUPAC/Chemical Name: 2-((2-((1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methoxy)ethyl)disulfanyl)ethyl 4-(2-((1-(2-((1R,3S,4S)-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl)allyl)-1H-1,2,3-triazol-4-yl)methyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)piperazine-1-carboxylate
InChi Key: WSQCWMGLAFVKLQ-MWPIGOLVSA-N
InChi Code: InChI=1S/C48H61N9O10S2/c1-6-48(5)13-12-31(22-37(48)29(2)3)30(4)23-55-24-32(49-51-55)25-56-44(62)35-9-7-8-34-38(11-10-36(40(34)35)45(56)63)53-14-16-54(17-15-53)47(64)66-19-21-69-68-20-18-65-28-33-26-57(52-50-33)46-43(61)42(60)41(59)39(27-58)67-46/h6-11,24,26,31,37,39,41-43,46,58-61H,1-2,4,12-23,25,27-28H2,3,5H3/t31-,37+,39-,41+,42+,43-,46-,48-/m1/s1
SMILES Code: O=C(N1CCN(C2=CC=C(C3=C4C=CC=C32)C(N(CC5=CN(CC([C@H]6C[C@@H](C(C)=C)[C@@](C=C)(C)CC6)=C)N=N5)C4=O)=O)CC1)OCCSSCCOCC7=CN([C@H]8[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O8)N=N7
Appearance: Solid powder
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 988.189 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 |
1: Wang M, Li Z, Liu F, Yi Q, Pu C, Li Y, Luo T, Liang J, Wang J. Development of Asialoglycoprotein-Mediated Hepatocyte-Targeting Antitumor Prodrugs Triggered by Glutathione. J Med Chem. 2021 Oct 14;64(19):14793-14808. doi: 10.1021/acs.jmedchem.1c01365. Epub 2021 Oct 1. PMID: 34595917.
