MedKoo Cat#: 465577 | Name: W-105

Description:

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

W-105 is an antitumor agent. W-105 possessed excellent antiproliferative efficacy. W-105 could also apparently prevent the migration of hepatoma cells in a dose-dependent manner, indicating that W-105 had the potential to inhibit tumor metastasis. W-105 mainly blocked HepG2 cells in the G0/G1 phase, which was similar to the mechanism of its parent structure β-elemene. The IC50 value of W-105 against HepG2 cells is 6.107 μM.

Chemical Structure

W-105
W-105
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465577

Name: W-105

CAS#: unknown

Chemical Formula: C34H40N6O2

Exact Mass: 564.3213

Molecular Weight: 564.73

Elemental Analysis: C, 72.31; H, 7.14; N, 14.88; O, 5.67

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
W-105; W105; W 105;
IUPAC/Chemical Name
2-((1-(2-((1S,3R,4R)-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl)allyl)-1H-1,2,3-triazol-4-yl)methyl)-6-(piperazin-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
InChi Key
BDHUBICXFAIOFR-SRYFTIFFSA-N
InChi Code
InChI=1S/C34H40N6O2/c1-6-34(5)13-12-24(18-29(34)22(2)3)23(4)19-39-20-25(36-37-39)21-40-32(41)27-9-7-8-26-30(38-16-14-35-15-17-38)11-10-28(31(26)27)33(40)42/h6-11,20,24,29,35H,1-2,4,12-19,21H2,3,5H3/t24-,29+,34-/m0/s1
SMILES Code
C=C([C@H]1CC[C@](C)(C=C)[C@@H](C(C)=C)C1)CN2C=C(CN3C(C4=CC=C(C5=CC=CC(C3=O)=C54)N6CCNCC6)=O)N=N2
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 564.73 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
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 1. doi: 10.1021/acs.jmedchem.1c01365. Epub ahead of print. PMID: 34595917.