Tarlox-TKI - Moligand™,≥97% , CAS No.2135696-72-7

CAS: 2135696-72-7 Cat. No.: T648908 Summenformel: C₁₉H₁₈BrClN₆O Molekulargewicht: 461.74 PubChem CID: 51037658

GRADE & PURITY Moligand™, ≥97%

Synonyms

SCHEMBL11903013 | EX-A3689 | GTPL9410 | Kinase inhibitor-1 | (2E)-N-{4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(dimethylamino)but-2-enamide | QBACGOWRJDBXSG-ONEGZZNKSA-N | Tarlox-TKI | RN4000E | RN-4000E | SCHEMBL11903016 | MJ8D2M76W

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Tarlox-TKI, the active metabolite of Tarloxotinib, is an irreversible pan- ErbB TKI (Tarlox-TKI)

Specifications

Synonyme

SCHEMBL11903013 | EX-A3689 | GTPL9410 | Kinase inhibitor-1 | (2E)-N-{4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(dimethylamino)but-2-enamide | QBACGOWRJDBXSG-ONEGZZNKSA-N | Tarlox-TKI | RN4000E | RN-4000E | SCHEMBL11903016 | MJ8D2M76W

Spezifikationen & Reinheit

Moligand™,≥97%

Biochemische und physiologische Mechanismen

Tarlox-TKI, the active metabolite of Tarloxotinib, is an irreversible pan- ErbB TKI (Tarlox-TKI).

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CN(C)CC=CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)Br

IUPAC Name

(E)-N-[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)but-2-enamide

InChIKey

QBACGOWRJDBXSG-ONEGZZNKSA-N

INCHI

1S/C19H18BrClN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+

Isomere SMILES

CN(C)C/C=C/C(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)Br

Alternative CAS-Nummer

2135696-72-7

PubChem CID

51037658

Molekulargewicht

461.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridopyrimidines
      • Subclass Pyrido[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridopyrimidines
• Subclass: Pyrido[3,4-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrido[3,4-d]pyrimidines
• Alternative Parents: Aniline and substituted anilines N-arylamides Aminopyrimidines and derivatives Chlorobenzenes Bromobenzenes Pyridines and derivatives Imidolactams Aryl bromides Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido[3,4-d]pyrimidine - Aniline or substituted anilines - N-arylamide - Chlorobenzene - Aminopyrimidine - Halobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Secondary amine - Amine - Organohalogen compound - Organobromide - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrido[3,4-d]pyrimidines. These are compounds containing the pyrido[3,4-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 7- 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (216.57 mM; Need ultrasonic)
• Molekulargewicht: 461.700 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 460.041 Da
• Monoisotopic Mass: 460.041 Da
• Topological Polar Surface Area: 83.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 551.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2135696-72-7, the molecular formula is C19H18BrClN6O, and the molecular weight is 461.74 g/mol. InChIKey QBACGOWRJDBXSG-ONEGZZNKSA-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.