UNC1062 - Moligand™,≥98% , CAS No.1350549-36-8

CAS: 1350549-36-8 Cat. No.: U650870 Peso molecular: 514.64 PubChem CID: 68212798

GRADE & PURITY Moligand™, ≥98%

Synonyms

BDBM50055499 | AKOS000137114 | UNC1062 | UNC-1062 | US9744172, Compound UNC1062A | cis-4-(6-(Butylamino)-3-(4-(morpholinosulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol | UNII-T7755XP5Y6 | 4-(6-(Butylamino)-3-(4-(morpholinosulfonyl)pheny

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

UNC1062 is a MERTK -selective tyrosine kinase inhibitor, reduces activation of MERTK-mediated downstream signaling, induces apoptosis in culture, reduces colony formation in soft agar, and inhibits invasion of melanoma cells. UNC1062 potently inhibits MERTK kinase activity (MERTK IC 50 =1.1 nM, Morrison K i =0.33 nM) and exhibits specificity within the TAM family (TYRO3 IC 50 =60 nM, AXL IC 50 =85 nM).

Form:Solid

Specifications

Sinónimos

BDBM50055499 | AKOS000137114 | UNC1062 | UNC-1062 | US9744172, Compound UNC1062A | cis-4-(6-(Butylamino)-3-(4-(morpholinosulfonyl)phenyl)-1H-pyrazolo[3, 4-d]pyrimidin-1-yl)cyclohexan-1-ol | UNII-T7755XP5Y6 | 4-(6-(Butylamino)-3-(4-(morpholinosulfonyl)pheny

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

UNC1062 is a MERTK -selective tyrosine kinase inhibitor, reduces activation of MERTK-mediated downstream signaling, induces apoptosis in culture, reduces colony formation in soft agar, and inhibits invasion of melanoma cells. UNC1062 potently inhibits MER

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.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCNC1=NC=C2C(=NN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5
• IUPAC Name: 4-[6-(butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
• InChIKey: KAAPXWSYROPAEL-UHFFFAOYSA-N
• INCHI: 1S/C25H34N6O4S/c1-2-3-12-26-25-27-17-22-23(29-31(24(22)28-25)19-6-8-20(32)9-7-19)18-4-10-21(11-5-18)36(33,34)30-13-15-35-16-14-30/h4-5,10-11,17,19-20,32H,2-3,6-9,12-16H2,1H3,(H,26,27,28)
• Isómeros SMILES: CCCCNC1=NC=C2C(=NN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5
• CAS alternativo: 1350549-36-8
• PubChem CID: 68212798
• Términos de entrada MeSH: UNC1062
• Peso molecular: 514.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Benzenesulfonamides Pyrazolo[3,4-d]pyrimidines Benzenesulfonyl compounds Secondary alkylarylamines Aminopyrimidines and derivatives Cyclohexanols Organosulfonamides Morpholines Sulfonyls Heteroaromatic compounds Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Benzenesulfonamide - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Benzenesulfonyl group - Aminopyrimidine - Cyclohexanol - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyrimidine - Morpholine - Oxazinane - Benzenoid - Organosulfonic acid amide - Cyclic alcohol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Azacycle - Secondary amine - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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)

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

Discover Target: FLT3

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

AXL Tchem Tyrosine-protein kinase receptor UFO (3469 Activities)

Discover Target: AXL

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

TYRO3 Tchem Tyrosine-protein kinase receptor TYRO3 (2906 Activities)

Discover Target: TYRO3

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

Objetivos asociados (no humanos)

Mus musculus (284745 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: 514.600 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 514.236 Da
• Monoisotopic Mass: 514.236 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 791.000
• 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