MedKoo Cat#: 161175 | Name: NPN12830
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

NPN12830, also known as meso-Tetra(4-carboxyphenyl)porphine tetramethyl ester is a synthetic porphyrin product with multiple applications towards photodynamic therapy. NPN12830 is used in the synthesis of Benzamide porphyrins. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming)

Chemical Structure

NPN12830
NPN12830
CAS#22112-83-0

Theoretical Analysis

MedKoo Cat#: 161175

Name: NPN12830

CAS#: 22112-83-0

Chemical Formula: C52H38N4O8

Exact Mass: 846.2690

Molecular Weight: 846.90

Elemental Analysis: C, 73.75; H, 4.52; N, 6.62; O, 15.11

Price and Availability

Size Price Availability Quantity
250mg USD 430.00 2 Weeks
500mg USD 595.00 2 Weeks
1g USD 835.00 2 Weeks
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Related CAS #
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Synonym
NPN12830; NPN12830; NPN12830; meso-Tetra(4-carboxyphenyl)porphine tetramethyl ester;
IUPAC/Chemical Name
tetramethyl 4,4',4'',4'''-(porphyrin-5,10,15,20-tetrayl)tetrabenzoate
InChi Key
NVCZKUSRWBBGAH-PJEPRTEXSA-N
InChi Code
InChI=1S/C52H38N4O8/c1-61-49(57)33-13-5-29(6-14-33)45-37-21-23-39(53-37)46(30-7-15-34(16-8-30)50(58)62-2)41-25-27-43(55-41)48(32-11-19-36(20-12-32)52(60)64-4)44-28-26-42(56-44)47(40-24-22-38(45)54-40)31-9-17-35(18-10-31)51(59)63-3/h5-28,53,56H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
SMILES Code
O=C(OC)C(C=C1)=CC=C1/C(C(C=C/2)=NC2=C3\C4=CC=C(C(OC)=O)C=C4)=C(N/5)\C=CC5=C(C6=CC=C(C(OC)=O)C=C6)\C7=N/C(C=C7)=C(C8=CC=C(C(OC)=O)C=C8)\C9=CC=C3N9
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 846.90 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.

Recalculate based on batch purity %
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.) Managa, et al. Photophysical properties and photodynamic therapy activity of a meso-tetra(4-carboxyphenyl)porphyrin tetramethyl ester–graphene quantum dot conjugate. New J. Chem., 2019,43, 4518-4524. https://doi.org/10.1039/C8NJ06175K 2.) Sengupta, et al. Benzamide porphyrins with directly conjugated and distal pyridyl or pyridinium groups substituted to the porphyrin macrocycles: Study of the photosensitising abilities as inducers of apoptosis in cancer cells under photodynamic conditions. Journal of Photochemistry and Photobiology B: Biology. Volume 178, January 2018, Pages 228-236. https://doi.org/10.1016/j.jphotobiol.2017.11.014