trans-Pralsetinib - ≥96% , Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET inhibitor, CAS No.2097132-93-7, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET inhibitor

CAS: 2097132-93-7 Cat. No.: T651511 Fórmula: C₂₇H₃₂FN₉O₂ Peso molecular: 533.60 Número CE: 861-037-3 PubChem CID: 129073603

GRADE & PURITY ≥96%

Synonyms

:PRALSETINIB [ORANGE BOOK] | BLU123244 | BLU-123244 | X581238 | X-581238 | WHO 11004 | BDBM435010 | Pralsetinib [USAN] | SCHEMBL18789228 | cyclohexanecarboxamide, N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

trans-Pralsetinib (trans-BLU-667) is a rearranged during transfection (RET) inhibitor extracted from patent US20170121312A1, Compound Example 129

Form:Solid

IC50& Target:RET

Specifications

Sinónimos

:PRALSETINIB [ORANGE BOOK] | BLU123244 | BLU-123244 | X581238 | X-581238 | WHO 11004 | BDBM435010 | Pralsetinib [USAN] | SCHEMBL18789228 | cyclohexanecarboxamide, N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methy

Especificações e pureza

≥96%

Mecanismos bioquímicos e fisiológicos

trans-Pralsetinib (trans-BLU-667) is a rearranged during transfection (RET) inhibitor extracted from patent US20170121312A1, Compound Example 129.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Mecanismo de ação

Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET inhibitor

Pureza

≥96%

Propriedades do produto

ALogP

3.1

Nomes e identificadores

Sorrisos canónicos

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)NC(C)C4=CN=C(C=C4)N5C=C(C=N5)F)OC

IUPAC Name

N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide

InChIKey

GBLBJPZSROAGMF-SIYOEGHHSA-N

INCHI

1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19?,27?/m0/s1

SMILES isoméricas

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)N[C@@H](C)C4=CN=C(C=C4)N5C=C(C=N5)F)OC

CAS alternativo

2097132-94-8

PubChem CID

129073603

Termos de entrada MeSH

BLU-667;Cyclohexanecarboxamide, N-((1S)-1-(6-(4-fluoro-1H-pyrazol-1-yl)-3-pyridinyl)ethyl)-1-methoxy-4-(4-methyl-6-((5-methyl-1H-pyrazol-3-yl)amino)-2-pyrimidinyl)-, trans-;gavreto;pralsetinib;trans-N-((1S)-1-(6-(4-Fluoro-1H-pyrazol-1-yl)-3-pyridinyl)ethy

Peso molecular

533.60

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyrazolylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyrazolylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolylpyridines
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Aryl fluorides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyrazolylpyridine - Aminopyrimidine - Imidolactam - Pyrimidine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Pyrazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
• 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

Alvos associados (humanos)

RET Tclin Proto-oncogene tyrosine-protein kinase receptor Ret (0 Activities)

Discover Target: RET

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

KDR Tclin Vascular endothelial growth factor receptor 2 (0 Activities)

Discover Target: KDR

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

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (187.41 mM; Need ultrasonic)
• Peso molecular: 533.600 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 533.266 Da
• Monoisotopic Mass: 533.266 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 816.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Perguntas frequentes

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

The CAS Number is 2097132-93-7, the molecular formula is C27H32FN9O2, and the molecular weight is 533.60 g/mol. InChIKey GBLBJPZSROAGMF-SIYOEGHHSA-N.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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.