OD36 - Moligand™,≥98% , Inhibitor of receptor interacting serine/threonine kinase 2, CAS No.1638644-62-8, Inhibitor of receptor interacting serine/threonine kinase 2

CAS: 1638644-62-8 Cat. No.: O287326 Molecular Weight: 330.77

GRADE & PURITY Moligand™, ≥98%

Synonyms

6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine hydrochloride | 6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

6-Chloro-10, 11, 14, 17-tetrahydro-13H-1, 16-etheno-4, 8-metheno-1H-pyrazolo[3, 4-g][1, 14, 4, 6]dioxadiazacyclohexadecine hydrochloride | 6-Chloro-10, 11, 14, 17-tetrahydro-13H-1, 16-etheno-4, 8-metheno-1H-pyrazolo[3, 4-g][1, 14, 4, 6]dioxadiazacyclohexadecine

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Potent receptor-interacting protein kinase 2 (RIPK2) inhibitor (IC50= 5.3 nM). Displays similar % inhibition against ALK-2 and SIK2 at 100 nM. Downregulates expression of a panel of RIPK2-dependent genes. Inhibits recruitment of inflammatory cells in a mo

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of receptor interacting serine/threonine kinase 2

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1COCCOC2=CC(=CC(=C2)C3=C4N=C(N1)C=CN4N=C3)Cl
• IUPAC Name: 4-chloro-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
• InChIKey: KTSDBMVHAKWDRK-UHFFFAOYSA-N
• INCHI: 1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)
• Isomeric SMILES: C1COCCOC2=CC(=CC(=C2)C3=C4N=C(N1)C=CN4N=C3)Cl
• Alternate CAS: 2387510-88-3
• Molecular Weight: 330.77
• Reaxy-Rn: 27875474
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27875474&ln=

Associated Targets(Human)

GAK Tchem Cyclin-G-associated kinase (2 Activities)

Discover Target: GAK

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

RIPK2 Tchem Receptor-interacting serine/threonine-protein kinase 2 (1 Activities)

Discover Target: RIPK2

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

GAK Tchem Serine/threonine-protein kinase GAK (1150 Activities)

Discover Target: GAK

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 36.72, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 1.84, Max Conc. mM: 5
• Molecular Weight: 330.770 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 330.088 Da
• Monoisotopic Mass: 330.088 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 402.000
• 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