Synonym
Chlorin e6 trimethyl ester; Chlorin-e6 trimethyl ester; Chlorin e6-trimethyl ester;
IUPAC/Chemical Name
methyl (7S,8S)-18-ethyl-5-(2-methoxy-2-oxoethyl)-7-(3-methoxy-3-oxopropyl)-2,8,12,17-tetramethyl-13-vinyl-7H,8H-porphyrin-3-carboxylate
InChi Key
LXSAEOQFNKQCFM-MIUGAMJUSA-N
InChi Code
InChI=1S/C37H42N4O6/c1-10-22-18(3)26-15-28-20(5)24(12-13-32(42)45-7)35(40-28)25(14-33(43)46-8)36-34(37(44)47-9)21(6)29(41-36)17-31-23(11-2)19(4)27(39-31)16-30(22)38-26/h10,15-17,20,24,38,41H,1,11-14H2,2-9H3/b26-15-,27-16-,28-15-,29-17-,30-16-,31-17-,35-25-,36-25-/t20-,24-/m0/s1
SMILES Code
CC1=C(/C2=C/C(NC(/C(CC(OC)=O)=C3[C@H]([C@@H](C(/C=C(N/C4=C\C1=N2)/C(C)=C4C=C)=N/3)C)CCC(OC)=O)=C5C(OC)=O)=C5C)CC
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
638.77
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.) Pandey, Ravindra K.; Bellnier, David A.; Smith, Kevin M.; Dougherty, Thomas J., Chlorin and porphyrin derivatives as potential photosensitizers in photodynamic therapy. Photochemistry and Photobiology (1991), 53(1), 65-72.
2.) Woodward, R. B.; Skaric, Vinko, A new aspect of the chemistry of chlorins, Journal of the American Chemical Society (1961), 83, 4676-8. And Woodward, R. B.; Ayer, W. A.; Beaton, J. M.; Bickelhaupt, F.; Bonnett, R.; Buchschacher, P.; Closs, G. L.; Dutler, H.; Hannah, J.; Hauck, F. P.; et al. The total synthesis of chlorophyll, Journal of the American Chemical Society (1960), 82, 3800-2. DOI:10.1021/ja01499a093.
3.) O’Shea, Donal F.; Miller, Mark A.; Matsueda, Hiroko; Lindsey, Jonathan S., Investigation of the Scope of Heterogeneous and Homogeneous Procedures for Preparing Magnesium Chelates of Porphyrins, Hydroporphyrins, and Phthalocyanines, Inorganic Chemistry (1996), 35(25), 7325-7338. DOI:10.1021/IC960812P.
4.) Hargus, Jodie A.; Fronczek, Frank R.; Vicente, M. Graca H.; Smith, Kevin M., Mono-(L)-aspartylchlorin-e6, Photochemistry and Photobiology (2007), 83(5), 1006-1015. DOI:10.1111/j.1751-1097.2007.00092.x
