(Rac)-BAY1238097 - ≥99% , CAS No.1564268-19-4

CAS: 1564268-19-4 Cat. No.: B651922 Formula: C₂₅H₃₃N₅O₃ Peso molecolare: 451.56 PubChem CID: 73294353

GRADE & PURITY ≥99%

Synonyms

HY-112316B | 1564268-19-4 | 3H-2,3-Benzodiazepine-3-carboxamide, 4,5-dihydro-7,8-dimethoxy-N,4-dimethyl-1-[4-(4-methyl-1-piperazinyl)phenyl]- | MS-28204 | DTXSID201108063 | AKOS040736515 | SCHEMBL16913045 | 4,5-Dihydro-7,8-dimethoxy-N,4-dimethyl-1-[4-(4-m

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

(Rac)-BAY1238097 is a BET inhibitor, with an IC 50 of 1.02 μM for BRD4 . Used in cancer research

Form:Solid

IC50& Target:IC50: 1.02 μM (BRD4)

Specifications

Sinonimi

HY-112316B | 1564268-19-4 | 3H-2,3-Benzodiazepine-3-carboxamide, 4,5-dihydro-7,8-dimethoxy-N,4-dimethyl-1-[4-(4-methyl-1-piperazinyl)phenyl]- | MS-28204 | DTXSID201108063 | AKOS040736515 | SCHEMBL16913045 | 4,5-Dihydro-7,8-dimethoxy-N,4-dimethyl-1-[4-(4-m

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

(Rac)-BAY1238097 is a BET inhibitor, with an IC 50 of 1.02 μM for BRD4 . Used in cancer research.

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

CC1CC2=CC(=C(C=C2C(=NN1C(=O)NC)C3=CC=C(C=C3)N4CCN(CC4)C)OC)OC

IUPAC Name

7,8-dimethoxy-N,4-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

InChIKey

CJIPEACKIJJYED-UHFFFAOYSA-N

INCHI

1S/C25H33N5O3/c1-17-14-19-15-22(32-4)23(33-5)16-21(19)24(27-30(17)25(31)26-2)18-6-8-20(9-7-18)29-12-10-28(3)11-13-29/h6-9,15-17H,10-14H2,1-5H3,(H,26,31)

Isomeri SMILES

CC1CC2=CC(=C(C=C2C(=NN1C(=O)NC)C3=CC=C(C=C3)N4CCN(CC4)C)OC)OC

CAS alternativo

1564268-19-4

PubChem CID

73294353

Peso molecolare

451.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Benzodiazepines Dialkylarylamines Anisoles Aniline and substituted anilines N-methylpiperazines Alkyl aryl ethers Semicarbazones Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Benzodiazepine - Anisole - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - N-methylpiperazine - Alkyl aryl ether - Semicarbazone - Monocyclic benzene moiety - Benzenoid - Semicarbazide - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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

Proprietà chimiche e fisiche

• Solubilità: DMSO : 150 mg/mL (332.18 mM; Need ultrasonic)
• Peso molecolare: 451.600 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 451.258 Da
• Monoisotopic Mass: 451.258 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 688.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1564268-19-4, the molecular formula is C25H33N5O3, and the molecular weight is 451.56 g/mol. InChIKey CJIPEACKIJJYED-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.