WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H564823
CAS#: NONE
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.
Hodoodo Cat#: H564823
Name: YK-5-252
CAS#: NONE
Chemical Formula: C44H39N3O10S2
Exact Mass: 833.21
Molecular Weight: 833.930
Elemental Analysis: C, 63.37; H, 4.71; N, 5.04; O, 19.19; S, 7.69
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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
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.