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MedKoo Cat#: 564823 | Name: YK-5-252

Description:

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

YK-5-252 is a dual action combretastatin A-4 (CA-4) prodrug which releases CA-4 through a disulfide bond cleavage mechanism and contains a near-infrared (NIR) fluorophore.

Chemical Structure

YK-5-252
YK-5-252
CAS#NONE

Theoretical Analysis

MedKoo Cat#: 564823

Name: YK-5-252

CAS#: NONE

Chemical Formula: C44H39N3O10S2

Exact Mass: 833.2077

Molecular Weight: 833.93

Elemental Analysis: C, 63.37; H, 4.71; N, 5.04; O, 19.19; S, 7.69

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
YK5-252; YK-5252; YK 5 252
IUPAC/Chemical Name
2-((2-(((2-Methoxy-5-((Z)-3,4,5-trimethoxystyryl)phenoxy)carbonyl)oxy)ethyl)disulfaneyl)ethyl (4-((E)-2-(4-(dicyanomethylene)-4H-chromen-2-yl)vinyl)phenyl)carbamate
InChi Key
DPEPUGYOCXGNNF-QLEYOENDSA-N
InChi Code
InChI=1S/C44H39N3O10S2/c1-50-38-18-14-30(9-10-31-24-40(51-2)42(53-4)41(25-31)52-3)23-39(38)57-44(49)55-20-22-59-58-21-19-54-43(48)47-33-15-11-29(12-16-33)13-17-34-26-36(32(27-45)28-46)35-7-5-6-8-37(35)56-34/h5-18,23-26H,19-22H2,1-4H3,(H,47,48)/b10-9-,17-13+
SMILES Code
O=C(OCCSSCCOC(OC1=CC(/C=C\C2=CC(OC)=C(OC)C(OC)=C2)=CC=C1OC)=O)NC3=CC=C(/C=C/C4=C/C(C5=C(O4)C=CC=C5)=C(C#N)\C#N)C=C3
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 833.93 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: Kong Y, Smith J, Li K, Cui J, Han J, Hou S, Brown ML. Development of a novel near-infrared fluorescent theranostic combretastain A-4 analogue, YK-5-252, to target triple negative breast cancer. Bioorg Med Chem. 2017 Apr 1;25(7):2226-2233. doi: 10.1016/j.bmc.2017.02.046. Epub 2017 Feb 24. PubMed PMID: 28284864.