DD1 - ≥98% , CAS No.187585-11-1

CAS: 187585-11-1 Cat. No.: D332334 Formule: C₁₆H₁₄N₂O₃ Poids moléculaire: 282.3 Numéro CE: 809-166-6

QUALITÉ & PURETÉ ≥98%

Synonyms

3-Amino-2-(3-amino-4-methoxyphenyl)-4H-1-benzopyran-4-one|3-amino-2-(3-amino-4-methoxyphenyl)chromen-4-one|3-Amino-2-(3-amino-4-methoxyphenyl)-4H-chromen-4-one|DD1|3,3'-Diamino-4'-methoxyflavone|4H-1-Benzopyran-4-one, 3-amino-2-(3-amino-4-methoxyphenyl)-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

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

Spécifications

Synonymes

3-Amino-2-(3-amino-4-methoxyphenyl)-4H-1-benzopyran-4-one | 3-amino-2-(3-amino-4-methoxyphenyl)chromen-4-one | 3-Amino-2-(3-amino-4-methoxyphenyl)-4H-chromen-4-one | DD1 | 3,3'-Diamino-4'-methoxyflavone | 4H-1-Benzopyran-4-one, 3-amino-2-(3-amino-4-methoxyphenyl)-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528764117

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO.
• Poids moléculaire: 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