Pyropheophorbide-a - Moligand™, ≥95% , CAS No.24533-72-0

CAS: 24533-72-0 Cat. No.: P342122 分子式: C₃₃H₃₄N₄O₃ 分子量: 534.66 Beilstein Registry Number: 73087 EC番号: 858-748-6 PubChem CID: 161456

GRADE & PURITY Moligand™, ≥95%

Synonyms

SCHEMBL378992 | DTXSID901315902 | PpaPpa | Pyropheophorbide alpha | Pyropheophorbide a | C18064 | 3-[(3S,4S)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid | Pyropheophorbide-a | pyrophaeophorbide | F87241 | HY-128973 | AKOS04074

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

同義語

SCHEMBL378992 | DTXSID901315902 | PpaPpa | Pyropheophorbide alpha | Pyropheophorbide a | C18064 | 3-[(3S,4S)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid | Pyropheophorbide-a | pyrophaeophorbide | F87241 | HY-128973 | AKOS04074

仕様と純度

Moligand™, ≥95%

保管条件

Protected from light,Store at -20°C,Argon charged,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥95%

名前と識別子

• カノニカル・スマイル: CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)O)C)C
• IUPAC Name: 3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
• InChIKey: FDKRLXBXYZKWRZ-UWJYYQICSA-N
• INCHI: 1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,36,38H,1,8-11H2,2-6H3,(H,39,40)/t17-,21-/m0/s1
• 異性体SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)O)C)C
• PubChem CID: 161456
• 分子量: 534.66
• Beilstein: 73087

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Tetrapyrroles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Tetrapyrroles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrapyrroles and derivatives
• Alternative Parents: Delta amino acids and derivatives Pyrrolidines Ketimines Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Enols Enamines Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Tetrapyrrole skeleton - Delta amino acid or derivatives - Pyrrolidine - Amino acid - Ketimine - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Monocarboxylic acid or derivatives - Enol - Enamine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Soluble in concentrated HCl, DMF, pyridine, and ammoniacal methanol.
• 感度: Light sensitive
• 屈折率: n20D1.64 (Predicted)
• 沸点（°C）: ~1006.4° C at 760 mmHg (Predicted)
• 分子量: 534.600 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 534.263 Da
• Monoisotopic Mass: 534.263 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 1660.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Jianying Ye, Yan Zhao, Baoyue Zhang, Shuo Li, Jinbo Li, Jiang Yu, Hongzhuo Liu, Yongjun Wang.  (2026)  Galloyl-Mediated Antigen Capture Coupled with Hypoxia-Responsive Reprogramming Drives Potent Photoimmunotherapy.  ACS Nano,      [PMID:41702861] [10.1021/acsnano.5c18030]