DD1 - ≥98% , CAS No.187585-11-1

CAS: 187585-11-1 Cat. No.: D332334 Summenformel: C₁₆H₁₄N₂O₃ Molekulargewicht: 282.3 EG-Nummer: 809-166-6

GRADE & PURITY ≥98%

Synonyms

DTXSID50172069 | HUN85111 | SCHEMBL15819532 | CCRIS 8248 | 3-Amino-2-(3-amino-4-methoxyphenyl)-4H-1-benzopyran-4-one | 3-amino-2-(3-amino-4-methoxyphenyl)chromen-4-one | EX-A4834 | HY-120035 | 3-Amino-2-(3-amino-4-methoxyphenyl)-4H-chromen-4-one | DD1 | 3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

DD1 is a proteasome inhibitor that induces human myeloid tumor-selective apoptosis.

Specifications

Synonyme

DTXSID50172069 | HUN85111 | SCHEMBL15819532 | CCRIS 8248 | 3-Amino-2-(3-amino-4-methoxyphenyl)-4H-1-benzopyran-4-one | 3-amino-2-(3-amino-4-methoxyphenyl)chromen-4-one | EX-A4834 | HY-120035 | 3-Amino-2-(3-amino-4-methoxyphenyl)-4H-chromen-4-one | DD1 | 3

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528764117

Kanonisches Lächeln

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)N)N

IUPAC Name

3-amino-2-(3-amino-4-methoxyphenyl)chromen-4-one

InChIKey

HSRUZXHIEFFBHR-UHFFFAOYSA-N

INCHI

1S/C16H14N2O3/c1-20-13-7-6-9(8-11(13)17)16-14(18)15(19)10-4-2-3-5-12(10)21-16/h2-8H,17-18H2,1H3

Isomere SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)N)N

Molekulargewicht

282.3

Reaxy-Rn

7651281

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7651281&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 4'-O-methylated flavonoids
• Alternative Parents: Flavones Chromones Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4p-methoxyflavonoid-skeleton - Flavone - Chromone - Benzopyran - 1-benzopyran - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Oxacycle - Ether - Organoheterocyclic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO.
• Molekulargewicht: 282.290 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 282.1 Da
• Monoisotopic Mass: 282.1 Da
• Topological Polar Surface Area: 87.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 449.000
• 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