CB 300919 - ≥98% , CAS No.289715-28-2

CAS: 289715-28-2 Cat. No.: C647105 Formula: C₃₂H₃₄ClN₇O₂ Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Canonical 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

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)

Isomeric 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

Alternate CAS

289715-28-2

PubChem CID

9938280

Molecular Weight

584.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : ≥ 100 mg/mL (171.20 mM) H2O : <0.1 mg/mL (insoluble)
• Molecular Weight: 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