WAY-300916 - 10mM in DMSO , CAS No.374102-08-6

CAS: 374102-08-6 Cat. No.: W423686 Formule: C₁₈H₁₆N₂O₆ Poids moléculaire: 356.33 PubChem CID: 2837573

QUALITÉ & PURETÉ 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

inhibitors of insulin-regulated aminopeptidase

Spécifications

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Propriétés du produit

ALogP

2.839

Nombre de HBD

2

Liaison rotative

5

Noms et identifiants

Pubchem Sid

528767817

Sourires canoniques

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)O)N

IUPAC Name

ethyl 2-amino-7-hydroxy-4-(4-nitrophenyl)-4H-chromene-3-carboxylate

InChIKey

PHTAMBMUQWHXLX-UHFFFAOYSA-N

INCHI

1S/C18H16N2O6/c1-2-25-18(22)16-15(10-3-5-11(6-4-10)20(23)24)13-8-7-12(21)9-14(13)26-17(16)19/h3-9,15,21H,2,19H2,1H3

Isomères SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)O)N

PubChem CID

2837573

Poids moléculaire

356.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Neoflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Neoflavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Neoflavonoids
• Alternative Parents: 1-benzopyrans Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Vinylogous esters Vinylogous amides Enoate esters Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Neoflavonoid skeleton - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Vinylogous amide - Carboxylic acid ester - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene 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

Cibles associées (humaines)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

LNPEP Tchem Cystinyl aminopeptidase (313 Activities)

Discover Target: LNPEP

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

SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

Discover Target: SMPD1

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

Discover Target: EHMT2

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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

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Cibles associées (non humaines)

Mapk1 MAP kinase ERK2 (650 Activities)

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Plasmodium falciparum (966862 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 356.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 356.101 Da
• Monoisotopic Mass: 356.101 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 579.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1