Arborine - ≥99% , CAS No.6873-15-0

CAS: 6873-15-0 Cat. No.: A651253 분자식: C₁₆H₁₄N₂O 분자량: 250.29 PubChem CID: 63123

등급 & 순도 ≥99%

Synonyms

2-Benzyl-1-methyl-4(1H)-Quinazolinone | Q27105821 | 2-benzyl-1-methylquinazol-4-one | 1-Methyl-2-(phenylmethyl)-4(1H)-quinazolinone | NSC 127745 | 4(1H)-Quinazolinone, 1-methyl-2-(phenylmethyl)- | AKOS024258266 | Arborin | 1-Methyl-2-(phenylmethyl)quinazo

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure.

Form:Solid

사양

동의어

2-Benzyl-1-methyl-4(1H)-Quinazolinone | Q27105821 | 2-benzyl-1-methylquinazol-4-one | 1-Methyl-2-(phenylmethyl)-4(1H)-quinazolinone | NSC 127745 | 4(1H)-Quinazolinone, 1-methyl-2-(phenylmethyl)- | AKOS024258266 | Arborin | 1-Methyl-2-(phenylmethyl)quinazo

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure .

보관 조건

Protected from light,Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

정식 스마일

CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3

IUPAC Name

2-benzyl-1-methylquinazolin-4-one

InChIKey

XVPZRKIQCKKYNE-UHFFFAOYSA-N

INCHI

1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3

이성체 SMILES

CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3

대체 CAS

6873-15-0

PubChem CID

63123

NSC 번호

127745

MeSH 용어

arborine;glycosine

분자량

250.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidones Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• External Descriptors: Quinazoline alkaloids

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 16.67 mg/mL (66.60 mM; ultrasonic and warming and heat to 60°C)
• 분자량: 250.290 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 250.111 Da
• Monoisotopic Mass: 250.111 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 371.000
• 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