Roseoflavin - Moligand™, ≥95% , CAS No.51093-55-1

CAS: 51093-55-1 Cat. No.: R769952 분자식: C₁₈H₂₃N₅O₆ 분자량: 405.41 PubChem CID: 170973

GRADE & PURITY Moligand™, ≥95%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Roseoflavin, a chemical analog of FMN and riboflavin that has antimicrobial activity, can directly bind to FMN riboswitch aptamers and downregulate the expression of an FMN riboswitch-lacZ reporter gene in B. subtilis.

Specifications

사양 및 순도

Moligand™, ≥95%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥95%

이름과 식별자

• Pubchem Sid: 528773218
• 정식 스마일: CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
• IUPAC Name: 8-(dimethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
• InChIKey: IGQLDUYTWDABFK-UHFFFAOYSA-N
• INCHI: 1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)
• 이성체 SMILES: CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
• RTECS: VJ1300000
• PubChem CID: 170973
• 분자량: 405.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pteridines and derivatives
      • Subclass Alloxazines and isoalloxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pteridines and derivatives
• Subclass: Alloxazines and isoalloxazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Alloxazines and isoalloxazines
• Alternative Parents: Quinoxalines Dialkylarylamines Pyrimidones Pyrazines Benzenoids Vinylogous amides Heteroaromatic compounds Secondary alcohols Lactams Polyols Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoalloxazine - Diazanaphthalene - Quinoxaline - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrimidone - Pyrazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Tertiary amine - Secondary alcohol - Polyol - Azacycle - Organic oxide - Organopnictogen compound - Primary alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as alloxazines and isoalloxazines. These are organic compounds comprising the (iso)alloxazine structure (Benzo[g]pteridine-2,4-dione).
• 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

• 감도: Light sensitive；Moisture sensitive
• 굴절률: n20D1.71 (Predicted)
• 끓는점(°C): 732.66° C (Predicted)
• 녹는점(°C): 276-278° C
• 분자량: 405.400 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 405.165 Da
• Monoisotopic Mass: 405.165 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 726.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1