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Talaporfin sodium

CAT: 0013-GTR19203048-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203048-01Size:25 mg
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Description
Talaporfin is a clinically relevant photosensitizer for photodynamic therapy (PDT) . It is utilized in both in vitro and in vivo research to investigate PDT mechanisms and efficacy against various cancers and neovascular diseases.
CAS Number
220201-34-3
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
[Na].CCc1c (C) c2cc3[nH]c (cc4nc ([C@@H] (CCC (O) =O) [C@@H]4C) c (CC (=O) N[C@@H] (CC (O) =O) C (O) =O) c4[nH]c (cc1n2) c (C) c4C (O) =O) c (C) c3C=C |w:23.23,11.10,7.5,39.38|
Molecular Formula
C38H41N5NaO9
Molecular Weight
734.762
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Talaporfin sodium

LS11(talaporfin sodium) is an agent consisting of chlorin e6, derived from chlorophyll, and L-aspartic acid with photosensitizing activity. After intratumoral activation by light emitting diodes, taporfin sodium forms an extended high energy conformational state that generates singlet oxygen, resulting in free radical-mediated cell death. It is used to treat many kinds of cancers.

CAS Number220201-34-3
PubChem CID5488036
IUPAC Nametetrasodium;(2S)-2-[[2-[(2S,3S)-7-carboxylato-3-(2-carboxylatoethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioate
Molecular FormulaC38H37N5Na4O9
Molecular Weight799.7
Topological Polar Surface Area247
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count56
Formal Charge0
Complexity1340
SMILES
CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)[O-])CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])CCC(=O)[O-])C)C)C=C)C.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C38H41N5O9.4Na/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24;;;;/h7,12-14,18,22,30,39-40H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4/t18-,22-,30-;;;;/m0..../s1
InChIKey
JLWROAPZCOJYGT-OBJGRMLXSA-J
Chemical Structure
2D Structure
2D structure of Talaporfin sodium
CAS: 220201-34-3
CID: 5488036
Formula: C38H37N5Na4O9
MW: 799.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight799.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass799.21820490
Monoisotopic Mass799.21820490
Topological Polar Surface Area247 Ų
Heavy Atom Count56
Formal Charge0
Complexity1340
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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