FG 7142 - ≥96% , CAS No.78538-74-6

CAS: 78538-74-6 Cat. No.: F286560 분자식: C₁₃H₁₁N₃O 분자량: 225.25

등급 & 순도 ≥96%

Synonyms

9H-Pyrido(3,4-b)indole-3-carboxamide, N-methyl- | NCGC00015391-11 | beta-Carboline-3-carboxylic acid N-methylamide | QMCOPDWHWYSJSA-UHFFFAOYSA-N | SR-01000075632-1 | BPBio1_001102 | Q5425452 | HMS3261L07 | FG7142 | FG-7142 | CCG-204623 | LSU-65ZK 39106 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

9H-Pyrido(3,4-b)indole-3-carboxamide, N-methyl- | NCGC00015391-11 | beta-Carboline-3-carboxylic acid N-methylamide | QMCOPDWHWYSJSA-UHFFFAOYSA-N | SR-01000075632-1 | BPBio1_001102 | Q5425452 | HMS3261L07 | FG7142 | FG-7142 | CCG-204623 | LSU-65ZK 39106 |

사양 및 순도

≥96%

생화학 및 생리적 메커니즘

Inverse agonist and anxiogenic agent. Increases tyrosine hydroxylation and causes upregulation ofβ-adrenoceptors in mouse cerebral cortex.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥96%

이름과 식별자

Pubchem Sid

528764453

정식 스마일

CNC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2

IUPAC Name

N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

InChIKey

QMCOPDWHWYSJSA-UHFFFAOYSA-N

INCHI

1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17)

이성체 SMILES

CNC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2

분자량

225.25

Reaxy-Rn

6569956

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6569956&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Pyridoindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Pyridoindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta carbolines
• Alternative Parents: Pyridinecarboxylic acids and derivatives Indoles 2-heteroaryl carboxamides Benzenoids Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Beta-carboline - Indole - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
• 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: Solvent:1eq. HCl, Max Conc. mg/mL: 16.89, Max Conc. mM: 75; Solvent:DMSO, Max Conc. mg/mL: 22.52, Max Conc. mM: 100
• 분자량: 225.250 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 225.09 Da
• Monoisotopic Mass: 225.09 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 307.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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