Reldesemtiv - ≥97% , Fast skeletal troponin complex activator, CAS No.1345410-31-2, Fast skeletal troponin complex activator

CAS: 1345410-31-2 Cat. No.: R669809 Peso molecular: 384.4 PubChem CID: 67454400

GRADE & PURITY ≥97%

Synonyms

1-(2-(((TRANS-3-FLUORO-1-(3-FLUORO-2-PYRIDINYL)CYCLOBUTYL)METHYL)AMINO)-5-PYRIMIDINYL)- 1H-PYRROLE-3-CARBOXAMIDE | SCHEMBL12288022 | 1-[2-[[3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide | CK-2127107

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Reldesemtiv is a selective and next-generation fast skeletal muscle troponin activator (FSTA). Reldesemtiv selectively activates fast skeletal myofibrils with an EC50 of 3.4 μM. Reldesemtiv increases exercise performance in a heart failure model.

Specifications

Sinónimos

1-(2-(((TRANS-3-FLUORO-1-(3-FLUORO-2-PYRIDINYL)CYCLOBUTYL)METHYL)AMINO)-5-PYRIMIDINYL)- 1H-PYRROLE-3-CARBOXAMIDE | SCHEMBL12288022 | 1-[2-[[3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide | CK-2127107

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ACTIVATOR

Mecanismo de acción

Fast skeletal troponin complex activator

Pureza

≥97%

Propiedades del producto

• ALogP: 1.5

Nombres e identificadores

• Sonrisas canónicas: NC(=O)C1=CN(C=C1)C2=CN=C(N=C2)NC[C@]3(C[C@@H](F)C3)C4=C(F)C=CC=N4
• IUPAC Name: 1-[2-[[3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide
• InChIKey: MQXWPWOCXGARRK-UHFFFAOYSA-N
• INCHI: 1S/C19H18F2N6O/c20-13-6-19(7-13,16-15(21)2-1-4-23-16)11-26-18-24-8-14(9-25-18)27-5-3-12(10-27)17(22)28/h1-5,8-10,13H,6-7,11H2,(H2,22,28)(H,24,25,26)
• Isómeros SMILES: C1C(CC1(CNC2=NC=C(C=N2)N3C=CC(=C3)C(=O)N)C4=C(C=CC=N4)F)F
• PubChem CID: 67454400
• Peso molecular: 384.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Pyrrole carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Pyrrole carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrole carboxamides
• Alternative Parents: Secondary alkylarylamines Aminopyrimidines and derivatives Substituted pyrroles Pyridines and derivatives Aryl fluorides Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrrole-3-carboxamide - Secondary aliphatic/aromatic amine - Aminopyrimidine - Substituted pyrrole - Pyrimidine - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrole carboxamides. These are heterocyclic compounds containing a pyrrole ring bearing a carboxamide.
• 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

Objetivos asociados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

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

Objetivos asociados (no humanos)

Psoas muscle (68 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 384.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 384.151 Da
• Monoisotopic Mass: 384.151 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 553.000
• 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