MPC 6827 hydrochloride - ≥98%(HPLC) , CAS No.917369-31-4

CAS: 917369-31-4 Cat. No.: M287518 Summenformel: C₁₇H₁₇N₃O•HCl Molekulargewicht: 315.8

GRADE & PURITY ≥98%(HPLC)

Synonyms

Verubulin hydrochloride | Verubulin hydrochloride [USAN] | MPC-6827 hydrochlorideMPC-6827 hydrochloride | N-(4-Methoxyphenyl)-N,2-dimethyl-4-quinazolinamine hydrochloride | UNII-33380QZ0QW | HY-12098 | mpc-6827 hydrochloride | N-(4-methoxyphenyl)-N,2-dime

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

Verubulin hydrochloride | Verubulin hydrochloride [USAN] | MPC-6827 hydrochlorideMPC-6827 hydrochloride | N-(4-Methoxyphenyl)-N,2-dimethyl-4-quinazolinamine hydrochloride | UNII-33380QZ0QW | HY-12098 | mpc-6827 hydrochloride | N-(4-methoxyphenyl)-N,2-dime

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Potent inhibitor of microtubule formation (IC50= 1.5 - 3.4 nM); inhibits polymerization of tubulinin vitroand disrupts microtubule formation in several cancer cell lines. Inhibits tumor growthin vitroandin vivo; exhibits pro-apoptotic characteristics. Bra

Storage

Room temperature,Desiccated

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Kanonisches Lächeln: CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC.Cl
• IUPAC Name: N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;hydrochloride
• InChIKey: VYUWDIKZJLOZJL-UHFFFAOYSA-N
• INCHI: 1S/C17H17N3O.ClH/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13;/h4-11H,1-3H3;1H
• Isomere SMILES: CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC.Cl
• Molekulargewicht: 315.8
• Reaxy-Rn: 12174000
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12174000&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Tertiary alkylarylamines
            • Ebene7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Quinazolinamines Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyldiarylamine - Quinazolinamine - Quinazoline - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
• 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)

A549 (127892 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

Mus musculus (284745 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 31.58, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 31.58, Max Conc. mM: 100
• Molekulargewicht: 315.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 315.114 Da
• Monoisotopic Mass: 315.114 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 330.000
• 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: 2

XLogP3

Häufig gestellte Fragen

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

This product is supplied at ≥98% 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 917369-31-4, the molecular formula is C17H17N3O?HCl, and the molecular weight is 315.8 g/mol. InChIKey VYUWDIKZJLOZJL-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.