Synonym
Chlorin e6 dimethylester; Chlorin e-6 dimethylester; Chlorin e6-dimethylester;
IUPAC/Chemical Name
(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-carboxylic acid
InChi Key
MRJQZMVLZSVILI-GESAQZPFSA-N
InChi Code
InChI=1S/C36H40N4O6/c1-9-21-17(3)25-14-27-19(5)23(11-12-31(41)45-7)34(39-27)24(13-32(42)46-8)35-33(36(43)44)20(6)28(40-35)16-30-22(10-2)18(4)26(38-30)15-29(21)37-25/h9,14-16,19,23,37,40H,1,10-13H2,2-8H3,(H,43,44)/b25-14-,26-15-,27-14-,28-16-,29-15-,30-16-,34-24-,35-24-/t19-,23-/m0/s1
SMILES Code
CC1=C(CC)/C2=C/C3=C(C)C(C(O)=O)=C(/C(CC(OC)=O)=C4[C@@H](CCC(OC)=O)[C@H](C)C(/C=C(N/5)/C(C)=C(C=C)C5=C\C1=N2)=N/4)N3
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
624.74
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.) Hargus, et al. Mono-(L)-aspartylchlorin-e6 Photochemistry and Photobiology, 2007, vol. 83, # 5, p. 1006 – 1015. https://doi.org/10.1111/j.1751-1097.2007.00092.x
2.) Jinadasa, et al. Syntheses and cellular investigations of 173-, 152-, and 131-amino acid derivatives of chlorin e6. Journal of Medicinal Chemistry, 2011, vol. 54, # 21, p. 7464 – 7476. https://doi.org/10.1021/jm2005139
3.) Jalde, et al. Synthesis of novel Chlorin e6-curcumin conjugates as photosensitizers for photodynamic therapy against pancreatic carcinoma. European Journal of Medicinal Chemistry, 2018, vol. 147, p. 66 – 76. https://doi.org/10.1016/j.ejmech.2018.01.099
4.) Chen, et al. Syntheses and PDT activity of new mono- and di-conjugated derivatives of chlorin e6 . Journal of Porphyrins and Phthalocyanines, 2017, vol. 21, # 4-6, p. 354 – 363. https://doi.org/10.1142/S1088424617500262
5.) Zhang, et al. Design, synthesis and biological evaluation of novel 31-hexyloxy chlorin e6-based 152– or 131-amino acid derivatives as potent photosensitizers for photodynamic therapy. European Journal of Medicinal Chemistry, 2020, vol. 207, art. no. 112715. https://www.sciencedirect.com/science/article/abs/pii/S0223523420306875?via%3Dihub
6.) Gomi, et al. The Structures of Mono-L-aspartyl chlorin e6 and its Related Compounds. Heterocycles, 1998, vol. 48, # 11, p. 2231 – 2244. DOI: 10.3987/COM-98-8286
