CY7 - ≥95% , CAS No.943298-08-6

CAS: 943298-08-6 Cat. No.: C196722 Formule: C₃₅H₄₂N₂O₈S₂ Poids moléculaire: 682.85

GRADE & PURITY ≥95%

Synonyms

Sulfo-Cyanine7 | 2-[7-[1-(5-Carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-3H-indolium inner salt

Storage

A l'abri de la lumière,A conserver à -20°C

Shipped In

Glacière + blocs de glace

Specifications

Synonymes

Sulfo-Cyanine7 | 2-[7-[1-(5-Carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-3H-indolium inner salt

Spécifications et pureté

≥95%

Conditions de stockage de stockage

A l'abri de la lumière,A conserver à -20°C

Expédié en

Glacière + blocs de glace

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 488202568
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202568
• Sourires canoniques: CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(C1=CC=CC=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)O)(C)C
• IUPAC Name: 2-[7-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
• InChIKey: CZWUESRDTYLNDE-UHFFFAOYSA-N
• INCHI: 1S/C35H42N2O8S2/c1-6-36-29-20-18-25(46(40,41)42)23-27(29)34(2,3)31(36)15-11-8-7-9-12-16-32-35(4,5)28-24-26(47(43,44)45)19-21-30(28)37(32)22-14-10-13-17-33(38)39/h7-9,11-12,15-16,18-21,23-24H,6,10,13-14,17,22H2,1-5H3,(H2-,38,39,40,41,42,43,44,45)
• Isomères SMILES: CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(C1=CC=CC=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)O)(C)C
• Poids moléculaire: 682.85
• Reaxy-Rn: 20039749
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20039749&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Medium-chain fatty acids Amino fatty acids Heterocyclic fatty acids Benzenoids Sulfonyls Organosulfonic acids Amino acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Enamines Carboxylic acids Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Fatty acyl - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amino acid or derivatives - Amino acid - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Amine - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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

Propriétés chimiques et physiques

• Solubilité: soluble in water
• Sensibilité: Light sensitive
• Poids moléculaire: 682.800 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 682.238 Da
• Monoisotopic Mass: 682.238 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1510.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 4
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1

Références

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2. Ying-Ke Hou, Zi-Jian Zhang, Rong-Tian Li, Jian Peng, Si-Yu Chen, Ya-Ru Yue, Wen-Hua Zhang, Bin Sun, Jin-Xiang Chen, Quan Zhou.  (2023)  Remodeling the Tumor Microenvironment with Core–Shell Nanosensitizer Featuring Dual-Modal Imaging and Multimodal Therapy for Breast Cancer.  ACS Applied Materials & Interfaces,      [PMID:36622638] [10.1021/acsami.2c17691]

3. Jialei Han, Ziwei Duan, Changjiang Liu, Yadong Liu, Xinyu Zhao, Bo Wang, Shuaishuai Cao, Dalin Wu.  (2024)  Hyperbranched Polymeric 19F MRI Contrast Agents with Long T2 Relaxation Time Based on β-Cyclodextrin and Phosphorycholine.  BIOMACROMOLECULES,      [PMID:39113312] [10.1021/acs.biomac.4c00548]

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