ML 365 - ≥98% , CAS No.947914-18-3

CAS: 947914-18-3 Cat. No.: M287099 분자식: C₂₂H₂₀N₂O₃ 분자량: 360.41

등급 & 순도 ≥98%

Synonyms

ML365|2-Methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide|2-methoxy-N-(3-(3-methylbenzamido)phenyl)benzamide

Storage

20°C에서 보관

Shipped In

아이스 박스 + 아이스 패드

사양

동의어

ML365 | 2-Methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide | 2-methoxy-N-(3-(3-methylbenzamido)phenyl)benzamide

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

강력하고 선택적인 TASK-1(K2P3.1/KCNK3) 채널 차단제(IC50값은 TASK-1 및 TASK-3에서 각각 4 및 390 nM입니다). Kir2.1, 전압 게이트 칼륨 채널, KCNQ2 및 KV11.1(hERG)에서 거의 또는 전혀 억제 효과를 나타내지 않습니다.

보관 조건

20°C에서 보관

배송

아이스 박스 + 아이스 패드

순수함

≥98%

이름과 식별자

Pubchem Sid

504770788

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770788

정식 스마일

CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3OC

IUPAC Name

2-methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide

InChIKey

UTAJHKSGYJSZBR-UHFFFAOYSA-N

INCHI

1S/C22H20N2O3/c1-15-7-5-8-16(13-15)21(25)23-17-9-6-10-18(14-17)24-22(26)19-11-3-4-12-20(19)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)

이성체 SMILES

CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3OC

분자량

360.41

Reaxy-Rn

20197987

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20197987&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: m-Toluamides Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzamide - Benzoic acid or derivatives - Toluamide - M-toluamide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Toluene - Alkyl aryl ether - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

관련 대상(인간)

KCNK3 Tclin Potassium channel subfamily K member 3 (3 Activities)

Discover Target: KCNK3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNK9 Tclin Potassium channel subfamily K member 9 (3 Activities)

Discover Target: KCNK9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

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

U2OS (164939 Activities)

Explore this target

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

HEK-293T (167025 Activities)

Explore this target

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

관련 대상(비인간)

Kcnq2 Voltage-gated potassium channel subunit Kv7.2 (95 Activities)

Discover Target: Kcnq2

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Kcnk3 Potassium channel subfamily K member 3 (21 Activities)

Discover Target: Kcnk3

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

Kcnk9 Potassium channel subfamily K member 9 (8 Activities)

Discover Target: Kcnk9

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Kcnj2 Inward rectifier potassium channel 2 (11 Activities)

Discover Target: Kcnj2

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 36.04, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 18.02, Max Conc. mM: 50
• 분자량: 360.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 360.147 Da
• Monoisotopic Mass: 360.147 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 510.000
• 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