CB 300919 - ≥98% , CAS No.289715-28-2

CAS: 289715-28-2 Cat. No.: C647105 分子式: C₃₂H₃₄ClN₇O₂ 分子量: 584.11 PubChem CID: 9938280

GRADE & PURITY ≥98%

Synonyms

SCHEMBL6584545 | Benzamide, 4-(((7-chloro-3,4-dihydro-3-methyl-2-((4-methyl-1-piperazinyl)methyl)-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-N-(3-pyridinylmethyl)- | A924598 | 55I8ETE76Y | MS-30457 | CB 300919 | Benzamide, 4-(((7-chloro-3,4-dihydro-3-m

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

CB 300919 is a quinazoline-based antitumour agent with high activity in the CH1 human ovarian tumour xenograft. CB 300919 has a continuous exposure (96 h) growth inhibition IC 50 value of 2 nM in human CH1 ovarian tumor xenograft.

Form:Solid

Specifications

同義語

SCHEMBL6584545 | Benzamide, 4-(((7-chloro-3,4-dihydro-3-methyl-2-((4-methyl-1-piperazinyl)methyl)-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-N-(3-pyridinylmethyl)- | A924598 | 55I8ETE76Y | MS-30457 | CB 300919 | Benzamide, 4-(((7-chloro-3,4-dihydro-3-m

仕様と純度

≥98%

生化学的・生理学的メカニズム

CB 300919 is a quinazoline-based antitumour agent with high activity in the CH1 human ovarian tumour xenograft. CB 300919 has a continuous exposure (96 h) growth inhibition IC 50 value of 2 nM in human CH1 ovarian tumor xenograft.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

カノニカル・スマイル

CN1CCN(CC1)CC2=NC3=C(C=C(C(=C3)Cl)CN(CC#C)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5)C(=O)N2C

IUPAC Name

4-[[7-chloro-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide

InChIKey

LWTCFUSGPRGUBX-UHFFFAOYSA-N

INCHI

1S/C32H34ClN7O2/c1-4-12-40(26-9-7-24(8-10-26)31(41)35-20-23-6-5-11-34-19-23)21-25-17-27-29(18-28(25)33)36-30(38(3)32(27)42)22-39-15-13-37(2)14-16-39/h1,5-11,17-19H,12-16,20-22H2,2-3H3,(H,35,41)

異性体SMILES

CN1CCN(CC1)CC2=NC3=C(C=C(C(=C3)Cl)CN(CC#C)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5)C(=O)N2C

代替CAS番号

289715-28-2

PubChem CID

9938280

分子量

584.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Aminobenzamides Benzamides Benzoyl derivatives Dialkylarylamines Aniline and substituted anilines Pyrimidones Aralkylamines N-methylpiperazines Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Trialkylamines Lactams Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Acetylides Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminobenzamide - Aminobenzoic acid or derivatives - Quinazoline - Benzamide - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyrimidone - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Acetylide - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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

関連ターゲット（人間）

NAMPT Tchem Nicotinamide phosphoribosyltransferase (1 Activities)

Discover Target: NAMPT

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

TYMS Tclin Thymidylate synthase (1651 Activities)

Discover Target: TYMS

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

WIL2 (182 Activities)

Explore this target

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

HCT-116 (91556 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : ≥ 100 mg/mL (171.20 mM) H2O : <0.1 mg/mL (insoluble)
• 分子量: 584.100 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 583.246 Da
• Monoisotopic Mass: 583.246 Da
• Topological Polar Surface Area: 84.400 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1010.000
• 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