WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 564823
Description: 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.
MedKoo Cat#: 564823
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
This product is not in stock, which may be available by custom synthesis.
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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
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.
|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.