APTO-253 - ≥98% , CAS No.916151-99-0

CAS: 916151-99-0 Cat. No.: A413688 Formula: C₂₂H₁₄FN₅ Peso molecolare: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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).

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Purezza

≥98%

Proprietà del prodotto

ALogP

4.287

hba_count

3

Conteggio HBD

2

Legame rotabile

1

Nomi e identificatori

Pubchem Sid

488197814

Pubchem Sid Url

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

Sorrisi canonici

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)

Isomeri SMILES

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

Peso molecolare

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
• Descrizione: 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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 73 mg/mL (198.7 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/mL) Solubilità massima: 73
• DMSO (mM) Solubilità massima: 198.704338831727
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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