IUPAC/Chemical Name
N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
InChi Key
SKXBZFNMPUFHFH-UHFFFAOYSA-N
InChi Code
InChI=1S/C50H54N4O9/c55-47(51-25-21-49(57)53-37-43-13-3-1-9-39(43)17-19-41-11-5-7-15-45(41)53)23-27-59-29-31-61-33-35-63-36-34-62-32-30-60-28-24-48(56)52-26-22-50(58)54-38-44-14-4-2-10-40(44)18-20-42-12-6-8-16-46(42)54/h1-16H,21-38H2,(H,51,55)(H,52,56)
SMILES Code
O=C(CCOCCOCCOCCOCCOCCC(NCCC(N1CC2=C(C=CC=C2)C#CC3=C1C=CC=C3)=O)=O)NCCC(N4CC5=C(C=CC=C5)C#CC6=C4C=CC=C6)=O
Purity
>95% (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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
855.00
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: Wang H, Tang L, Liu Y, Dobrucka IT, Dobrucki LW, Yin L, Cheng J. In Vivo Targeting of Metabolically Labeled Cancers with Ultra-Small Silica Nanoconjugates. Theranostics. 2016 Jun 16;6(9):1467-76. doi: 10.7150/thno.16003. eCollection 2016. PubMed PMID: 27375793; PubMed Central PMCID: PMC4924513.
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.
3: Zimmerman ES, Heibeck TH, Gill A, Li X, Murray CJ, Madlansacay MR, Tran C, Uter NT, Yin G, Rivers PJ, Yam AY, Wang WD, Steiner AR, Bajad SU, Penta K, Yang W, Hallam TJ, Thanos CD, Sato AK. Production of site-specific antibody-drug conjugates using optimized non-natural amino acids in a cell-free expression system. Bioconjug Chem. 2014 Feb 19;25(2):351-61. doi: 10.1021/bc400490z. Epub 2014 Jan 29. PubMed PMID: 24437342.
