Hematoporphyrin dicyclohexanyl ether

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MedKoo CAT#: 576238

CAS#: 119052-80-1

Description: Hematoporphyrin dicyclohexanyl ether is an iron-free derivative of heme with 4 methyl groups, 2 hydroxyethyl groups, and 2 propionic acid groups attached to the pyrrole rings. Some of these photosensitizing agents are used in the phototherapy of malignant neoplasms.


Chemical Structure

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Hematoporphyrin dicyclohexanyl ether
CAS# 119052-80-1

Theoretical Analysis

MedKoo Cat#: 576238
Name: Hematoporphyrin dicyclohexanyl ether
CAS#: 119052-80-1
Chemical Formula: C46H58N4O6
Exact Mass: 762.4356
Molecular Weight: 762.99
Elemental Analysis: C, 72.41; H, 7.66; N, 7.34; O, 12.58

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
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Synonym: Hematoporphyrin dicyclohexanyl ether; HP-Dce

IUPAC/Chemical Name: 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-(cyclohexyloxy)ethyl)-3,8,13,17-tetramethyl-

InChi Key: FEYUPRGTLFQLGY-AZPDBEIKSA-N

InChi Code: InChI=1S/C46H58N4O6/c1-25-33(17-19-43(51)52)39-24-40-34(18-20-44(53)54)26(2)36(48-40)22-41-46(30(6)56-32-15-11-8-12-16-32)28(4)38(50-41)23-42-45(27(3)37(49-42)21-35(25)47-39)29(5)55-31-13-9-7-10-14-31/h21-24,29-32,48-49H,7-20H2,1-6H3,(H,51,52)(H,53,54)/b35-21-,36-22-,37-21-,38-23-,39-24-,40-24-,41-22-,42-23-

SMILES Code: CC(OC1CCCCC1)c2c(C)c3cc4[nH]c(cc5nc(cc6[nH]c(cc2n3)C(=C6CCC(=O)O)C)c(CCC(=O)O)c5C)c(C)c4C(C)OC7CCCCC7

Appearance: Solid powder

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 762.99 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

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1. Kessel D. Hematoporphyrin and HPD: photophysics, photochemistry and phototherapy. Photochem Photobiol. 1984 Jun;39(6):851-9. doi: 10.1111/j.1751-1097.1984.tb08871.x. PMID: 6235529.

2. Lei TC, Glazner GF, Duffy M, Scherrer L, Pendyala S, Li B, Wang X, Wang H, Huang Z. Optical properties of hematoporphyrin monomethyl ether (HMME), a PDT photosensitizer. Photodiagnosis Photodyn Ther. 2012 Sep;9(3):232-42. doi: 10.1016/j.pdpdt.2012.01.003. Epub 2012 Feb 10. PMID: 22959803.