IUPAC/Chemical Name
1-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)thiourea
InChi Key
FGEDVMJBPDYXLU-UHFFFAOYSA-N
InChi Code
InChI=1S/C39H27N3O6S/c43-27-12-15-31-34(20-27)47-35-21-28(44)13-16-32(35)39(31)30-14-11-26(19-29(30)37(46)48-39)41-38(49)40-18-17-36(45)42-22-25-7-2-1-5-23(25)9-10-24-6-3-4-8-33(24)42/h1-8,11-16,19-21,43-44H,17-18,22H2,(H2,40,41,49)
SMILES Code
O=C(CCNC(NC1=CC=C(C2(C(C=CC(O)=C3)=C3OC4=C2C=CC(O)=C4)OC5=O)C5=C1)=S)N6CC7=C(C=CC=C7)C#CC8=C6C=CC=C8
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, DMF, DCM
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
2934.99.03.00
More Info
Solubility: DMSO, DMF, DCM
Excitation maximum (nm): 494
Emission maximum (nm): 517
Preparing Stock Solutions
The following data is based on the
product
molecular weight
665.72
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 |
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2: Yoon HI, Yhee JY, Na JH, Lee S, Lee H, Kang SW, Chang H, Ryu JH, Lee S, Kwon IC, Cho YW, Kim K. Bioorthogonal Copper Free Click Chemistry for Labeling and Tracking of Chondrocytes In Vivo. Bioconjug Chem. 2016 Apr 20;27(4):927-36. doi: 10.1021/acs.bioconjchem.6b00010. Epub 2016 Mar 10. PubMed PMID: 26930274.
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