CycLuc 1 - Moligand™,≥98%(HPLC) , CAS No.1247879-16-8

CAS: 1247879-16-8 Cat. No.: C288654 Summenformel: C₁₃H₁₁N₃O₂S₂ Molekulargewicht: 305.37

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

(4S)-2-(6,7-Dihydro-5H-pyrrolo[3,2-f]benzothiazol-2-yl)-4,5-dihydro-4-thiazolecarboxylic acid

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

CycLuc1 is a blood-brain barrier permeable luciferase substrate that displays near-infrared (NIR) emission with a peak luminescence wavelength of 599 nm. CycLuc1 can be used for in vivo bioluminescence imaging.

Specifications

Synonyme

(4S)-2-(6,7-Dihydro-5H-pyrrolo[3,2-f]benzothiazol-2-yl)-4,5-dihydro-4-thiazolecarboxylic acid

Spezifikationen & Reinheit

Moligand™,≥98%(HPLC)

Biochemische und physiologische Mechanismen

Synthetic luciferase substrate. Displays near-infrared (NIR) emission; peak luminescence at 599 nm. Suitable for use inin vivobioluminescence imaging. Brain penetrant.

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 528763956
• Kanonisches Lächeln: C1CNC2=CC3=C(C=C21)N=C(S3)C4=N[C@H](CS4)C(=O)O
• IUPAC Name: (4S)-2-(6,7-dihydro-5H-pyrrolo[3,2-f][1,3]benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
• InChIKey: HBZBAMXERPYTFS-SECBINFHSA-N
• INCHI: 1S/C13H11N3O2S2/c17-13(18)9-5-19-11(16-9)12-15-8-3-6-1-2-14-7(6)4-10(8)20-12/h3-4,9,14H,1-2,5H2,(H,17,18)/t9-/m1/s1
• Isomere SMILES: C1CNC2=CC3=C(C=C21)N=C(S3)C4=N[C@H](CS4)C(=O)O
• Molekulargewicht: 305.37
• Reaxy-Rn: 19054682
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19054682&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Benzothiazoles Indolines Aralkylamines Secondary alkylarylamines Benzenoids Imidothiolactones Thiazolines Heteroaromatic compounds Thiazoles Amino acids Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - 1,3-benzothiazole - Indole or derivatives - Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Imidothiolactone - Azole - Thiazole - Meta-thiazoline - Heteroaromatic compound - Amino acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 30.54, Max Conc. mM: 100
• Empfindlichkeit: Light sensitive
• Molekulargewicht: 305.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 305.029 Da
• Monoisotopic Mass: 305.029 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 459.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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