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

CAS: 24533-72-0 Cat. No.: P342122 분자식: C₃₃H₃₄N₄O₃ 분자량: 534.66 Beilstein Registry Number: 73087 EC 번호: 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

동의어

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

사양 및 순도

Moligand™, ≥95%

보관 조건

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

배송

Ice chest + Ice pads

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등급

Moligand™

순수함

≥95%

이름과 식별자

• 정식 스마일: 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
• 이성체 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
• 분자량: 534.66
• Beilstein: 73087

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in concentrated HCl, DMF, pyridine, and ammoniacal methanol.
• 감도: Light sensitive
• 굴절률: n20D1.64 (Predicted)
• 끓는점(°C): ~1006.4° C at 760 mmHg (Predicted)
• 분자량: 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

참고 문헌

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]