AlPcS4
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MedKoo CAT#: 406813

CAS#: 144082-45-1 (free acid)

Description: AlPcS4 , also known as aluminum phthalocyanine tetrasulfonate Chloroaluminum tetrasulfophthalocyanine; or AlS4Pc, AlPcS4(a), is a potent photosensitizer, and is potentially useful in cancer sonodynamic therapy and cancer photodynamic therapy. Aluminum phthalocyanine disulfonate is a mixture of regional isomers, in which sulfonate group can be in 3- or 4- position in phenyl ring. Aluminum phthalocyanine disulfonate is also a Coloring Agent; Dermatologic Agent; Fluorescent Dye; Indicators and Reagent; Luminescent Agent; Photosensitizing Agent; Radiation-Sensitizing Agent.


Chemical Structure

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AlPcS4
CAS# 144082-45-1 (free acid)

Theoretical Analysis

MedKoo Cat#: 406813
Name: AlPcS4
CAS#: 144082-45-1 (free acid)
Chemical Formula: C32H16AlClN8O12S4
Exact Mass: 893.9274
Molecular Weight: 895.1955
Elemental Analysis: C, 42.93; H, 1.80; Al, 3.01; Cl, 3.96; N, 12.52; O, 21.45; S, 14.33

Price and Availability

Size Price Availability Quantity
5.0mg USD 150.0 Ready to ship
10.0mg USD 350.0 Ready to ship
25.0mg USD 750.0 Ready to ship
50.0mg USD 1350.0 Ready to ship
100.0mg USD 2350.0 Ready to ship
200.0mg USD 4150.0 Ready to ship
10.0mM * 1 mL DMSO USD 350.0 Ready to ship
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Related CAS #: 144082-45-1 (free acid)   118887-28-8 (sodium)    

Synonym: AlPcS4 or AlS4Pc, or AlPcS4(a); Chloroaluminum tetrasulfophthalocyanine; Aluminum phthalocyanine tetrasulfonate tetrasodium; Al(III) Phthalocyanine Chloride Tetrasulfonic tetrasodium; MFCD#: MFCD00672294.

IUPAC/Chemical Name: Aluminate(4-​)​, chloro[29H,​31H-​phthalocyanine-​2,​9,​17,​24-​tetrasulfonato(6-​)​-​N29,​N30,​N31,​N32]​-​, (SP-​5-​13)​-

InChi Key: ZFWXERRHYQLDNT-UHFFFAOYSA-M

InChi Code: InChI=1S/C32H16N8O12S4.Al.ClH/c41-53(42,43)13-1-5-17-21(9-13)29-35-25(17)33-26-18-6-2-14(54(44,45)46)10-22(18)31(36-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(38-32)34-27-19-7-3-15(55(47,48)49)11-23(19)30(37-27)39-29;;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;1H/q-2;+3;/p-1

SMILES Code: Cl[Al]123N4C5=NC6=[N]1C(C7=C6C=C(C=C7)S(=O)(O)=O)=NC8=C9C=CC(S(=O)(O)=O)=CC9=C(N38)N=C(C%10=C%11C=CC(S(=O)(O)=O)=C%10)[N]2=C%11N=C4C%12=C5C=C(S(=O)(O)=O)C=C%12

Appearance: Solid powder

Purity: >90% (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: >2 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

Certificate of Analysis:

Safety Data Sheet (SDS):

Preparing Stock Solutions

The following data is based on the product molecular weight 895.1955 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: da Silva NS, Ribeiro Cde M, Machado AH, Pacheco-Soares C. Ultrastructural changes in Tritrichomonas foetus after treatments with AlPcS4 and photodynamic therapy. Vet Parasitol. 2007 May 15;146(1-2):175-81. Epub 2007 Mar 30. PubMed PMID: 17399904.

2: Derycke AS, Kamuhabwa A, Gijsens A, Roskams T, De Vos D, Kasran A, Huwyler J, Missiaen L, de Witte PA. Transferrin-conjugated liposome targeting of photosensitizer AlPcS4 to rat bladder carcinoma cells. J Natl Cancer Inst. 2004 Nov 3;96(21):1620-30. PubMed PMID: 15523091.

3: Plaetzer K, Kiesslich T, Krammer B, Hammerl P. Characterization of the cell death modes and the associated changes in cellular energy supply in response to AlPcS4-PDT. Photochem Photobiol Sci. 2002 Mar;1(3):172-7. PubMed PMID: 12659513.

4: Gijsens A, Derycke A, Missiaen L, De Vos D, Huwyler J, Eberle A, de Witte P. Targeting of the photocytotoxic compound AlPcS4 to Hela cells by transferrin conjugated PEG-liposomes. Int J Cancer. 2002 Sep 1;101(1):78-85. PubMed PMID: 12209592.

5: Rück A, Heckelsmiller K, Kaufmann R, Grossman N, Haseroth E, Akgün N. Light-induced apoptosis involves a defined sequence of cytoplasmic and nuclear calcium release in AlPcS4-photosensitized rat bladder RR 1022 epithelial cells. Photochem Photobiol. 2000 Aug;72(2):210-6. PubMed PMID: 10946575.

6: Moor AC, Wagenaars-van Gompel AE, Hermanns RC, van der Meulen J, Smit J, Wilschut J, Brand A, Dubbelman TM, VanSteveninck J. Inhibition of various steps in the replication cycle of vesicular stomatitis virus contributes to its photoinactivation by AlPcS4 or Pc4 and red light. Photochem Photobiol. 1999 Mar;69(3):353-9. PubMed PMID: 10089828.

7: Peng Q, Moan J, Farrants GW, Danielsen HE, Rimington C. Location of P-II and AlPCS4 in human tumor LOX in vitro and in vivo by means of computer-enhanced video fluorescence microscopy. Cancer Lett. 1991 Jun 14;58(1-2):37-47. PubMed PMID: 1828713.

AlPcS4

5.0mg / USD 150.0


Additional Information

Related CAS#
CAS#33308-41-7 (Phthalocyanine tetrasulfonic acid)
CAS#144082-45-1(Aluminum phthalocyanine tetrasulfonic acid)
CAS#118887-28-8 (Aluminum phthalocyanine tetrasulfonate tetrasodium)