APTO-253 - ≥98% , CAS No.916151-99-0

CAS: 916151-99-0 Cat. No.: A413688 Formule: C₂₂H₁₄FN₅ Poids moléculaire: 367.38

GRADE & PURITY ≥98%

Synonyms

NSC789042 | NSC-789042 | A13838 | 1H-Imidazo(4,5-F)(1,10)phenanthroline, 2-(5-fluoro-2-methyl-1H-indol-3-yl)- | SCHEMBL10067266 | IrosustatSTX64 | LT-253 | AC-36395 | Lor-253(former code) | 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenan

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

APTO-253 APTO-253 (LOR-253, LT-253) inhibits c-Myc expression and selectively induces CDKN1A (p21) , promotes G0-G1 cell-cycle arrest, and triggers apoptosis in acute myeloid leukemia (AML) cells. APTO-253 is also an inducer of KLF4 (Krüppel-like factor 4) .

Targets

c-Myc ; KLF4

Specifications

Synonymes

NSC789042 | NSC-789042 | A13838 | 1H-Imidazo(4,5-F)(1,10)phenanthroline, 2-(5-fluoro-2-methyl-1H-indol-3-yl)- | SCHEMBL10067266 | IrosustatSTX64 | LT-253 | AC-36395 | Lor-253(former code) | 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenan

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

APTO-253 (LOR-253, LT-253) inhibits c-Myc expression and selectively induces CDKN1A (p21), promotes G0-G1 cell-cycle arrest, and triggers apoptosis in acute myeloid leukemia (AML) cells. APTO-253 is also an inducer of KLF4 (Krüppel-like factor 4).

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.

Pureté

≥98%

Propriétés du produit

ALogP

4.287

hba_count

3

Nombre de HBD

2

Liaison rotative

1

Noms et identifiants

Pubchem Sid

488197814

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197814

Sourires canoniques

CC1=C(C2=C(N1)C=CC(=C2)F)C3=NC4=C5C=CC=NC5=C6C(=C4N3)C=CC=N6

IUPAC Name

2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

InChIKey

NIRXBXIPHUTNNI-UHFFFAOYSA-N

INCHI

1S/C22H14FN5/c1-11-17(15-10-12(23)6-7-16(15)26-11)22-27-20-13-4-2-8-24-18(13)19-14(21(20)28-22)5-3-9-25-19/h2-10,26H,1H3,(H,27,28)

Isomères SMILES

CC1=C(C2=C(N1)C=CC(=C2)F)C3=NC4=C5C=CC=NC5=C6C(=C4N3)C=CC=N6

Poids moléculaire

367.38

Reaxy-Rn

20465211

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20465211&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Phenanthrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Phenanthrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrolines
• Alternative Parents: Quinolines and derivatives Indoles Benzimidazoles Substituted pyrroles Pyridines and derivatives Benzenoids Aryl fluorides Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,10-phenanthroline - Quinoline - Benzimidazole - Indole - Indole or derivatives - Aryl fluoride - Aryl halide - Benzenoid - Substituted pyrrole - Pyridine - Azole - Heteroaromatic compound - Imidazole - Pyrrole - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.
• 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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 73 mg/mL (198.7 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/mL) Solubilité maximale: 73
• DMSO (mM) Solubilité maximale: 198.704338831727
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 367.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 367.123 Da
• Monoisotopic Mass: 367.123 Da
• Topological Polar Surface Area: 70.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 589.000
• 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