SC-66 - ≥99% , CAS No.871361-88-5

CAS: 871361-88-5 Cat. No.: S276006 Formula: C₁₈H₁₆N₂O Peso molecolare: 276.34 PubChem CID: 6018993

QUALITÀ & PUREZZA ≥99%

Synonyms

(2E,6E)-2,6-Bis(4-pyridinylmethylene)cyclohexanone

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

(2E,6E)-2,6-Bis(4-pyridinylmethylene)cyclohexanone

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

Biological description': "Allosteric Akt inhibitor. Interferes with PIP3 binding to Akt's PH domain. Additionally facilitates Akt ubiquitination. Displays anticancer activity in vitro and in vivo.

Condizioni di conservazione di stoccaggio

Store at -20°C,Desiccated

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

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504763991

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763991

Sorrisi canonici

C1CC(=CC2=CC=NC=C2)C(=O)C(=CC3=CC=NC=C3)C1

IUPAC Name

(2E,6E)-2,6-bis(pyridin-4-ylmethylidene)cyclohexan-1-one

InChIKey

CYVVJSKZRBZHAV-UNZYHPAISA-N

INCHI

1S/C18H16N2O/c21-18-16(12-14-4-8-19-9-5-14)2-1-3-17(18)13-15-6-10-20-11-7-15/h4-13H,1-3H2/b16-12+,17-13+

Isomeri SMILES

C1C/C(=C\C2=CC=NC=C2)/C(=O)/C(=C/C3=CC=NC=C3)/C1

PubChem CID

6018993

Peso molecolare

276.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Cyclic ketone - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

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GSR Tclin Glutathione reductase (335 Activities)

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HT-29 (80576 Activities)

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MDA-MB-468 (9477 Activities)

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MRC5 (9203 Activities)

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PANC-1 (6144 Activities)

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PC-3 (62116 Activities)

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SK-BR-3 (5175 Activities)

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BJ (6930 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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MDA-MB-231 (73002 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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HTT Tchem Huntingtin (19182 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

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GMNN Tbio Geminin (128009 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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XBP1 Tchem X-box-binding protein 1 (1001 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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WRN Tbio Werner syndrome ATP-dependent helicase (8824 Activities)

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Obiettivi associati (non umani)

TPR Trypanothione reductase (189 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Cruzipain (33337 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Plasmodium falciparum (966862 Activities)

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Leishmania amazonensis (3813 Activities)

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Trypanosoma cruzi (99888 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Giardia (1682 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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HSP90 (947 Activities)

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Ddit3 DNA damage-inducible transcript 3 protein (953 Activities)

Discover Target: Ddit3

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vpr Aberrant vpr protein (14595 Activities)

Discover Target: vpr

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO to 50 mM and in ethanol to 50 mM
• Peso molecolare: 276.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 276.126 Da
• Monoisotopic Mass: 276.126 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 388.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1