MRTX0902 - Moligand™, ≥99% , CAS No.2654743-22-1

CAS: 2654743-22-1 Cat. No.: M647526 Fórmula: C₂₂H₂₄N₆O Peso molecular: 388.47 PubChem CID: 156526655

GRADE & PURITY Moligand™, ≥99%

Synonyms

UNII-CRG69FR93G | (R)-2-Methyl-3-(1-((4-methyl-7-morpholinopyrido[3,4-d]pyridazin-1-yl)amino)ethyl)benzonitrile

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

MRTX0902 is an orally active and potent SOS1 inhibitor with an IC 50 of 46 nM (WO2021127429A1; Example 12-10)

In Vitro

MRTX0902 (compound 32) (1 μM; 0, 2, 4, 8, 15, and 30 minutes) shows a moderate Cl int value of 195 mL/min/kg in human liver microsome and a low lipophilicity with cLogP of 3.4. MRTX0902 displays high selectivity on SOS1 (K i =2 nM) over SOS2 and EGFR (both K i values >10,000 nM), MRTX0902 inhibits MKN1 cells with an IC 50 value of 29 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

MRTX0902 (compound 32) (25, 50 mg/kg; p.o.; twice daily; 25 d) shows anti-tumor effect in mouse model and results tumor regression . MRTX0902 (1-3 mg/kg for i.v. or 10-30 mg/kg for p.o.; single dose) exhibits good brain penetrance, low clearance, and high bioavailability . PK Parameters for MRTX0902 across Species Parameter Route Dose (mg/kg) Cl (mL/min/kg) V d,ss (L/kg) T 1/2 (iv) (h) F (%) Mouse IV/PO 3/30 4.4 0.28 1.3 69 Rat IV/PO 1/10 14.6 0.28 0.62 83 Dog IV/PO 2/10 7.6 0.48 0.86 38 MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female CD-1 mice Dosage: 50 mg/kg Administration: Oral gavage; twice daily; 1 day Result: Resulted free drug exposure in the brain as well as the efflux ratio in the Caco-2 assay (ER = 1.5). Showed short half-life of the compound in mice (T 1/2 = 1.3 h). Animal Model: MIA PaCa-2 xenograft model in mouse Dosage: 25 mg/kg; 50 mg/kg Administration: Oral gavage; twice daily; 25 days Result: Reduced tumor growth by 41% and 53% at 25 mg/kg and 50 mg/kg administration.

Form:Solid

IC50& Target:KRAS-SOS1 46 nM (IC 50 )

Specifications

Sinónimos

UNII-CRG69FR93G | (R)-2-Methyl-3-(1-((4-methyl-7-morpholinopyrido[3,4-d]pyridazin-1-yl)amino)ethyl)benzonitrile

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

MRTX0902 is an active and potent SOS1 inhibitor with an IC50 of 46 nM.

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

≥99%

Nombres e identificadores

• Pubchem Sid: 528765565
• Isómeros SMILES: CC1=C(C=CC=C1[C@@H](C)NC2=NN=C(C3=CN=C(C=C32)N4CCOCC4)C)C#N
• PubChem CID: 156526655
• Peso molecular: 388.47

Objetivos asociados (humanos)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

MIA PaCa-2 (5949 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

• Solubilidad: DMSO : 12.5 mg/mL (32.18 mM; ultrasonic and warming and heat to 60°C)
• Peso molecular: 388.500 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 388.201 Da
• Monoisotopic Mass: 388.201 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 587.000
• 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