HLI 373 - ≥99%(HPLC) , CAS No.1782531-99-0

CAS: 1782531-99-0 Cat. No.: H287228 Summenformel: C₁₈H₂₃N₅O₂•₂HCl Molekulargewicht: 414.33 PubChem CID: 135403620

QUALITÄT & REINHEIT ≥99%(HPLC)

Synonyms

5-[[3-Dimethylamino)propyl]amino]-3,10-dimethylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione dihydrochloride

Storage

Room temperature,Desiccated

Shipped In

Normal

Spezifikationen

Synonyme

5-[[3-Dimethylamino)propyl]amino]-3,10-dimethylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione dihydrochloride

Spezifikationen & Reinheit

≥99%(HPLC)

Biochemische und physiologische Mechanismen

Inhibitor of Hdm2 ubiquitin ligase (E3). Blocks Hdm2-mediated ubiquitylation and proteasomal degradation of p53; activates p53-dependent transcription. Induces apoptosis in several tumor cell lines that express wild-type p53 such as LOX-IMVI, A549, HT1080

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥99%(HPLC)

Namen und Kennungen

Kanonisches Lächeln

CN1C2=CC=CC=C2C(=NCCCN(C)C)C3=C1NC(=O)N(C3=O)C

IUPAC Name

5-[3-(dimethylamino)propylimino]-3,10-dimethyl-1H-pyrimido[4,5-b]quinoline-2,4-dione

InChIKey

ACSJNMXHJOVJON-UHFFFAOYSA-N

INCHI

1S/C18H23N5O2/c1-21(2)11-7-10-19-15-12-8-5-6-9-13(12)22(3)16-14(15)17(24)23(4)18(25)20-16/h5-6,8-9H,7,10-11H2,1-4H3,(H,20,25)

Isomere SMILES

CN1C2=CC=CC=C2C(=NCCCN(C)C)C3=C1NC(=O)N(C3=O)C

PubChem CID

135403620

Molekulargewicht

414.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Quinoline carboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Quinoline carboxamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline-3-carboxamides
• Alternative Parents: Pyrido[2,3-d]pyrimidines Tetrahydropyridines Pyrimidones Methylpyridines N-acyl amines Hydropyrimidines Benzenoids Vinylogous amides Secondary ketimines Heteroaromatic compounds Dicarboximides Trialkylamines Organic carbonic acids and derivatives Lactams Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxamide - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Methylpyridine - Tetrahydropyridine - Pyrimidone - Benzenoid - Pyrimidine - Pyridine - N-acyl-amine - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Secondary ketimine - Dicarboximide - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Lactam - Ketimine - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinoline-3-carboxamides. These are quinolines in which the quinoline ring system is substituted by one carboxamide group at the 3-position.
• 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)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

Discover Target: HIF1A

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

Zugehörige Ziele (nicht menschlich)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 37.79, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 3.78, Max Conc. mM: 10
• Molekulargewicht: 341.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 341.185 Da
• Monoisotopic Mass: 341.185 Da
• Topological Polar Surface Area: 68.300 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 625.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1782531-99-0, the molecular formula is C18H25Cl2N5O2, and the molecular weight is 414.33 g/mol. InChIKey ACSJNMXHJOVJON-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.