Isoxaben - ≥95% , CAS No.82558-50-7

CAS: 82558-50-7 Cat. No.: I354299 분자식: C₁₈H₂₄N₂O₄ 분자량: 332.39 EC 번호: 407-190-8

GRADE & PURITY ≥95%

Synonyms

EL-107 | Flexidor | Gallery | NA 8318 | N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide | 2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide | Benzamizole | Cent 7 | X-Pand | EL 107

Storage

Room temperature

Shipped In

Normal

개요

Isoxaben is a benzamide herbicide that has been shown to prevent cell division during mitosis by inhibiting cellulose biosynthesis in cell walls.

Specifications

동의어

EL-107 | Flexidor | Gallery | NA 8318 | N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide | 2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide | Benzamizole | Cent 7 | X-Pand | EL 107

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

Isoxaben, a herbicide, inhibits incorporation of radiolabeled glucose into an acid insoluble cell wall fraction. Isoxaben is also a specific inhibitor of cell wall biosynthesis.

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• Pubchem Sid: 528764968
• 정식 스마일: CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC
• IUPAC Name: 2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
• InChIKey: PMHURSZHKKJGBM-UHFFFAOYSA-N
• INCHI: 1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)
• 이성체 SMILES: CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC
• 분자량: 332.39
• Reaxy-Rn: 6612136
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6612136&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Benzamides Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dimethoxybenzene - M-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Heteroaromatic compound - Isoxazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: Amide herbicides

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

관련 대상(비인간)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 끓는점(°C): ~427.8° C at 760 mmHg (Predicted)
• 녹는점(°C): 175-179° C
• 분자량: 332.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 332.174 Da
• Monoisotopic Mass: 332.174 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 402.000
• 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