NBI 31772 - ≥98%(HPLC) , CAS No.374620-70-9

CAS: 374620-70-9 Cat. No.: N287388 Summenformel: C₁₇H₁₁NO₇ Molekulargewicht: 341.27

GRADE & PURITY ≥98%(HPLC)

Synonyms

BDBM50106431 | DTXSID80741040 | UNII-7DYH3XNP6H | 1-[(3,4-Dioxocyclohexa-1,5-dien-1-yl)(hydroxy)methylidene]-6,7-dihydroxy-1,2-dihydroisoquinoline-3-carboxylic acid | 7DYH3XNP6H | AKOS025147334 | ZPA62070 | 6,7-dihydroxy-1-(3,4-dihydroxybenzoyl)isoquinoli

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

BDBM50106431 | DTXSID80741040 | UNII-7DYH3XNP6H | 1-[(3,4-Dioxocyclohexa-1,5-dien-1-yl)(hydroxy)methylidene]-6,7-dihydroxy-1,2-dihydroisoquinoline-3-carboxylic acid | 7DYH3XNP6H | AKOS025147334 | ZPA62070 | 6,7-dihydroxy-1-(3,4-dihydroxybenzoyl)isoquinoli

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

High affinity insulin-like growth factor-1 binding protein (IGFBP) inhibitor (Kivalues are 1 - 24 nM for all six human subtypes). Displaces insulin-like growth factor-1 (IGF-1) from the IGF-1:IGFBP complex and suppresses IGF1-induced proliferation of 3T3

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 528766249
• Kanonisches Lächeln: C1=CC(=C(C=C1C(=O)C2=NC(=CC3=CC(=C(C=C32)O)O)C(=O)O)O)O
• IUPAC Name: 1-(3,4-dihydroxybenzoyl)-6,7-dihydroxyisoquinoline-3-carboxylic acid
• InChIKey: ZCMFEWUYBFMLIN-UHFFFAOYSA-N
• INCHI: 1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
• Isomere SMILES: C1=CC(=C(C=C1C(=O)C2=NC(=CC3=CC(=C(C=C32)O)O)C(=O)O)O)O
• Molekulargewicht: 341.27
• Reaxy-Rn: 9087936
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9087936&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Isoquinolines and derivatives
      • Subclass Benzylisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Isoquinolines and derivatives
• Subclass: Benzylisoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylisoquinolines
• Alternative Parents: Aryl-phenylketones Pyridinecarboxylic acids Catechols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzylisoquinoline - Aryl-phenylketone - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzoyl - Catechol - Aryl ketone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
• 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

Zugehörige Ziele (menschlich)

IGFBP1 Tchem Insulin-like growth factor-binding protein 1 (1 Activities)

Discover Target: IGFBP1

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

IGFBP2 Tchem Insulin-like growth factor-binding protein 2 (1 Activities)

Discover Target: IGFBP2

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

IGFBP3 Tchem Insulin-like growth factor-binding protein 3 (2 Activities)

Discover Target: IGFBP3

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

IGFBP4 Tchem Insulin-like growth factor-binding protein 4 (1 Activities)

Discover Target: IGFBP4

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

IGFBP5 Tchem Insulin-like growth factor-binding protein 5 (2 Activities)

Discover Target: IGFBP5

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

IGFBP6 Tchem Insulin-like growth factor-binding protein 6 (1 Activities)

Discover Target: IGFBP6

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

IGFBP6 Tchem Insulin-like growth factor binding protein 6 (2 Activities)

Discover Target: IGFBP6

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

IGFBP1 Tchem Insulin-like growth factor binding protein 1 (2 Activities)

Discover Target: IGFBP1

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

IGFBP3 Tchem Insulin-like growth factor binding protein 3 (46 Activities)

Discover Target: IGFBP3

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

IGFBP4 Tchem Insulin-like growth factor binding protein 4 (2 Activities)

Discover Target: IGFBP4

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

IGFBP5 Tchem Insulin-like growth factor binding protein 5 (37 Activities)

Discover Target: IGFBP5

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

IGFBP2 Tchem Insulin-like growth factor binding protein 2 (2 Activities)

Discover Target: IGFBP2

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 34.13, Max Conc. mM: 100
• Molekulargewicht: 341.270 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 341.054 Da
• Monoisotopic Mass: 341.054 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 527.000
• 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