NG25 - Moligand™, ≥98% , Inhibitor of C-terminal Src kinase;Inhibitor of LYN proto-oncogene; Src family tyrosine kinase;Inhibitor of mitogen-activated protein kinase kinase kinase 7;Inhibitor of mitogen-activated protein kinase kinase kinase kinase 2;Inhi, Inhibitor of C-terminal Src kinase;Inhibitor of LYN proto-oncogene; Src family tyrosine kinase;Inhibitor of mitogen-activated protein kinase kinase kinase 7;Inhibitor of mitogen-activated protein kinase kinase kinase kinase 2;Inhibitor of SRC proto-oncoge

CAS: 1315355-93-1 Cat. No.: N125272 分子式: C₂₉H₃₀F₃N₅O₂ 分子量: 537.58 EC番号: 110-114-3

グレード＆純度 Moligand™, ≥98%

Synonyms

AC-35824 | Benzamide, N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)- | SMPGEBOIKULBCT-UHFFFAOYSA-N | NG25; NG 25 | 1315355-93-1 | BCP28600 | BS-15181 | HY-15434 | SCHEMBL17244048 | NG25 | NG-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

仕様

同義語

AC-35824 | Benzamide, N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)- | SMPGEBOIKULBCT-UHFFFAOYSA-N | NG25; NG 25 | 1315355-93-1 | BCP28600 | BS-15181 | HY-15434 | SCHEMBL17244048 | NG25 | NG-

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

TGF-β-activated kinase (TAK1) inhibitor (IC50= 149 nM). Also inhibits LYN, MAP4K2 and Abl kinase activity (IC50values are 12.9, 21.7 and 75.2 nM, respectively). Suppresses CpG A and CpG B-stimulated secretion of IFN-αand TLR7/8 agonist CL097-stimulated se

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of C-terminal Src kinase;Inhibitor of LYN proto-oncogene; Src family tyrosine kinase;Inhibitor of mitogen-activated protein kinase kinase kinase 7;Inhibitor of mitogen-activated protein kinase kinase kinase kinase 2;Inhibitor of SRC proto-oncoge

純度

≥98%

名前と識別子

パブケム・シド

504771152

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504771152

カノニカル・スマイル

CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F

IUPAC Name

N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide

InChIKey

SMPGEBOIKULBCT-UHFFFAOYSA-N

INCHI

1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)

異性体SMILES

CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=C5C=CNC5=NC=C4)C(F)(F)F

分子量

537.58

Reaxy-Rn

21650214

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21650214&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Diarylethers Trifluoromethylbenzenes p-Toluamides Benzamides Pyrrolopyridines Benzoyl derivatives Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Aralkylamines N-alkylpiperazines Pyridines and derivatives Pyrroles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Organofluorides Organopnictogen compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Diaryl ether - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Pyrrolopyridine - Phenoxy compound - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - Toluene - 1,4-diazinane - Piperazine - Pyridine - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Amine - Alkyl fluoride - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
• 説明: 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

関連ターゲット（人間）

CSK Tchem Tyrosine-protein kinase CSK (1 Activities)

Discover Target: CSK

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

SRC Tclin Proto-oncogene tyrosine-protein kinase Src (1 Activities)

Discover Target: SRC

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

MAP4K2 Tchem Mitogen-activated protein kinase kinase kinase kinase 2 (1 Activities)

Discover Target: MAP4K2

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

MAP3K7 Tchem Mitogen-activated protein kinase kinase kinase 7 (1 Activities)

Discover Target: MAP3K7

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

LYN Tclin Tyrosine-protein kinase Lyn (1 Activities)

Discover Target: LYN

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

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

Discover Target: FLT3

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

THP-1 (11052 Activities)

Explore this target

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

FES Tclin Tyrosine-protein kinase FES (2339 Activities)

Discover Target: FES

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 10.75, Max Conc. mM: 20
• 感度: Light sensitive
• 分子量: 537.600 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 537.235 Da
• Monoisotopic Mass: 537.235 Da
• Topological Polar Surface Area: 73.500 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 808.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1315355-93-1, the molecular formula is C29H30F3N5O2, and the molecular weight is 537.58 g/mol. InChIKey SMPGEBOIKULBCT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.