タラポルフィンナトリウム

Talaporfin sodium

HCID 5488036

基本情報

CAS: 220201-34-3
標準SMILES: C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)[O-])[C@@H](CCC(=O)[O-])[C@@H]3C.[Na+].[Na+].[Na+].[Na+]
InChIKey: JLWROAPZCOJYGT-OBJGRMLXSA-J
分子式: C38H37N5Na4O9
平均分子量: 799.7 g/mol
単同位体質量: 799.21820488

概要

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.

名称と識別子

優先名称: Talaporfin sodium
IUPAC: tetrasodium;(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
現地名: タラポルフィンナトリウム
英語名: Talaporfin sodium
分子式: C38H42N5NaO9
分子量: 735.77

名称と別名

Talaporfin sodiumLaserphyrin220201-34-3Taporfin sodiumNPe6Talaporfin (sodium salt)LS-11Mono-L-aspartyl chlorin e6Talaporfin sodium [USAN]Talaporfin tetrasodium saltME-2906tetrasodium;(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

名称をさらに表示

タラポルフィンナトリウムタラポルフィンナトリウム (JAN)ME2906D01985Talaporfin sodiuM saltTalaporfin sodium (jan/usan)Mono-L-Aspartyl Chlorin e6 Tetrasodium Salt (NPe6)

L63605PZ70ME 2906L-Aspartic acid, N-(((7S,8S)-3-carboxy-7-(2-carboxyethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphin-5-yl)acetyl)-, tetrasodium saltTetrasodium (2S)-2-((((7S,8S)-3-carboxylato-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-2,8,12,17-tetramethyl-7,8-dihydroporphyrin-5-yl)acetyl)amino)butanedioateAptocineTalaporfinsodiumLaserphyrin (TN)Tetrasodium (2S)-2-[[[(7S,8S)-3-carboxylato-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-2,8,12,17-tetramethyl-7,8-dihydroporphyrin-5-yl]acetyl]amino]butanedioate

データベース識別子

CAS: 220201-34-3、220680-62-6
PubChem CID: 5488036
DTXSID: DTXSID70420519
UNII: L63605PZ70

物性

構造計算による物性

極性表面積: 247 Å²
水素結合供与体数: 3
水素結合受容体数: 11
回転可能結合数: 8
重原子数: 56
形式電荷: 0
複雑度: 1,340

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: 2 · DMSO:2.0(Max Conc. mg/mL);2.5(Max Conc. mM)Water:50.0(Max Conc. mg/mL);62.52(Max Conc. mM)
外見: A solid
色: Purple to black
SMILES: O=C(C[C@H](NC(C/C1=C2[C@@H](CCC(O[Na])=O)[C@H](C)C(/C=C3N/C(C(C=C)=C\3C)=C\C4=N/C(C(CC)=C4C)=C\C5=C(C(C(O[Na])=O)=C1N5)C)=N\2)=O)C(O[Na])=O)O[Na]

安全と法規制

安全データ

wgk: WGK 3
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Mechanism of Action · 1 件

Light Sciences Oncology (LSO) aims to en-light-en cancer patients. Light Sciences has developed Light Infusion Therapy (Litx) which is a novel treatment for solid tumors. The therapy involves inserting a flexible light-emitting diode (LED) into a tumor, followed by an injection of LS11 (talaporfin sodium), a light-activated drug. Once the LED activates LS11, molecular oxygen is converted into singlet oxygen, killing tissue within the LED's scope and shutting down the blood supply to the area. The treatment is designed for use on three types of cancers: hepatoma (liver cancer), metastatic colorectal cancer, and Gioma (brain tumor).

応用分野

使用Talaporfin sodium is photosensitizer for use in photodynamic therapy to destroy tumor tissue.

サプライヤー24 社

成都健腾生物技术有限公司028-85159085 · [email protected]

武汉布林科技有限公司3456065315 13260619011 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

上海先辉医药科技有限公司13564796979; 13564796979 · [email protected]

上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]

化合物ノート

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