BRD4 Inhibitor-24 - ≥98% , CAS No.309951-18-6

CAS: 309951-18-6 Cat. No.: W418335 Summenformel: C₁₃H₁₄N₂O₄ Molekulargewicht: 262.26

GRADE & PURITY ≥98%

Synonyms

MLS001211925 | STK015603 | 3,4-Dimethoxy-N-(5-methyl-isoxazol-3-yl)-benzamide | 3,4-Dimethoxy-N-(5-methylisoxazol-3-yl)benzamide | 3,4-DIMETHOXY-N-(5-METHYL-3-ISOXAZOLYL)BENZAMIDE | HY-147202 | MS-23691 | WAY-309060 | AKOS000650167 | HMS2829O18 | Oprea1_3

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Product description：

BRD4 Inhibitor-24 (compound 3U) is a potent BRD4 inhibitor, BRD4 Inhibitor-24 shows antitumor activity against MCF7 and K652 cells, with IC50 values of 33.7 and 45.9 μM, respectively (extracted from patent CN107721975A).

Specifications

Synonyme

MLS001211925 | STK015603 | 3,4-Dimethoxy-N-(5-methyl-isoxazol-3-yl)-benzamide | 3,4-Dimethoxy-N-(5-methylisoxazol-3-yl)benzamide | 3,4-DIMETHOXY-N-(5-METHYL-3-ISOXAZOLYL)BENZAMIDE | HY-147202 | MS-23691 | WAY-309060 | AKOS000650167 | HMS2829O18 | Oprea1_3

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

ALogP

1.72

hba_count

5

HBD-Zahl

1

Rotationsfähige Bindung

4

Namen und Kennungen

Pubchem Sid

504759915

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759915

Kanonisches Lächeln

CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)OC)OC

IUPAC Name

3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

InChIKey

LZELTTNSPNYMCU-UHFFFAOYSA-N

INCHI

1S/C13H14N2O4/c1-8-6-12(15-19-8)14-13(16)9-4-5-10(17-2)11(7-9)18-3/h4-7H,1-3H3,(H,14,15,16)

Isomere SMILES

CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)OC)OC

Molekulargewicht

262.26

Reaxy-Rn

32651486

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32651486&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 Imidolactams 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: O-dimethoxybenzene - Dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Imidolactam - Azole - Heteroaromatic compound - Isoxazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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: 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

Zugehörige Ziele (menschlich)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Zugehörige Ziele (nicht menschlich)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 262.260 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 262.095 Da
• Monoisotopic Mass: 262.095 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 313.000
• 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