MN 64 - ≥98% , CAS No.92831-11-3

CAS: 92831-11-3 Cat. No.: M413608 Formula: C₁₈H₁₆O₂ Peso molecolare: 264.32 Numero EC: 809-764-7

QUALITÀ & PUREZZA ≥98%

Synonyms

Q27457131 | 2-[4-(propan-2-yl)phenyl]-4H-chromen-4-one | BDBM50441358 | AS-16713 | MFCD00829158 | HMS3747K09 | J-690394 | NCGC00387229-03 | BCP16851 | AKOS025142045 | SCHEMBL2424789 | 2-(4-Isopropylpheny)-4H-chroMen-4-one | Oprea1_520034 | s6739 | F13318

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

MN 64 MN-64 is a potent inhibitor of TNKS1 and TNKS2 with IC50 value of 6 and 72 nM, respectively.

Targets

TNKS1 ; TNKS2 6 nM; 72 nM

In vitro

MN-64 inhibits WNT/β-catenin signaling-dependent Super-TopFlash (STF) luciferase activity.

Specifiche

Sinonimi

Q27457131 | 2-[4-(propan-2-yl)phenyl]-4H-chromen-4-one | BDBM50441358 | AS-16713 | MFCD00829158 | HMS3747K09 | J-690394 | NCGC00387229-03 | BCP16851 | AKOS025142045 | SCHEMBL2424789 | 2-(4-Isopropylpheny)-4H-chroMen-4-one | Oprea1_520034 | s6739 | F13318

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

MN-64 is a potent inhibitor of TNKS1 and TNKS2 with IC50 value of 6 and 72 nM, respectively.

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.

Tipo di azione

INHIBITOR

Purezza

≥98%

Proprietà del prodotto

ALogP

4.33

hba_count

2

Legame rotabile

2

Nomi e identificatori

Pubchem Sid

488194065

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194065

Sorrisi canonici

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

IUPAC Name

2-(4-propan-2-ylphenyl)chromen-4-one

InChIKey

PYTOHIUBXSJKQH-UHFFFAOYSA-N

INCHI

1S/C18H16O2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3

Isomeri SMILES

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

Peso molecolare

264.32

Reaxy-Rn

5269408

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5269408&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavones
• Alternative Parents: Chromones Bicyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Pyranones and derivatives Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavone - Chromone - P-cymene - Aromatic monoterpenoid - Benzopyran - Bicyclic monoterpenoid - Monoterpenoid - 1-benzopyran - Cumene - Phenylpropane - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).
• 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 (umani)

TNKS Tchem Tankyrase-1 (2 Activities)

Discover Target: TNKS

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TNKS2 Tchem Tankyrase-2 (2 Activities)

Discover Target: TNKS2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

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

HEK293 (82097 Activities)

Explore this target

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

HepG2 (196354 Activities)

Explore this target

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

PARP2 Tclin Poly [ADP-ribose] polymerase 2 (1185 Activities)

Discover Target: PARP2

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

TNKS Tchem Tankyrase-1 (1241 Activities)

Discover Target: TNKS

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

PARP4 Tchem Poly [ADP-ribose] polymerase 4 (71 Activities)

Discover Target: PARP4

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

TNKS2 Tchem Tankyrase-2 (1531 Activities)

Discover Target: TNKS2

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

TRPM7 Tchem Transient receptor potential cation channel subfamily M member 7 (19 Activities)

Discover Target: TRPM7

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

PARP15 Tchem Poly [ADP-ribose] polymerase 15 (178 Activities)

Discover Target: PARP15

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

PARP10 Tchem Poly [ADP-ribose] polymerase 10 (418 Activities)

Discover Target: PARP10

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

PARP12 Tchem Poly [ADP-ribose] polymerase 12 (63 Activities)

Discover Target: PARP12

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

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: 53 mg/mL (200.51 mM); Ethanol: 53 mg/mL (200.51 mM); Water: Insoluble
• DMSO (mg/mL) Solubilità massima: 53
• DMSO (mM) Solubilità massima: 200.514527845036
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 264.300 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 264.115 Da
• Monoisotopic Mass: 264.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 388.000
• 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