TL 12-186 - Moligand™, ≥98%(HPLC) , cereblon, CAS No.2250025-88-6, cereblon

CAS: 2250025-88-6 Cat. No.: T288251 Molecular Weight: 931.46 PubChem CID: 134812843

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

N-(2-(2-(2-(4-(4-((5-Chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)phenyl)piperazin-1-yl)ethoxy)ethoxy)ethyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamide

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Application

PROTAC

Specifications

Synonyms

N-(2-(2-(2-(4-(4-((5-Chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)phenyl)piperazin-1-yl)ethoxy)ethoxy)ethyl)-2-((2-(2, 6-dioxopiperidin-3-yl)-1, 3-dioxoisoindolin-4-yl)amino)acetamide

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

PROTAC®comprised of a highly promiscuous kinase inhibitor conjugated to the cereblon E3 ubiquitin ligase ligand, pomalidomide. Degrades a range of kinases in MOLT-4 and MOLM-14 cell lines.Negative controlTL 13-27 is also available.PROTAC®is a registered tr

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Mechanism of action

cereblon

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)N4CCN(CC4)CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O
• IUPAC Name: N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
• InChIKey: YNGWQHGVASHCBK-UHFFFAOYSA-N
• INCHI: 1S/C44H51ClN10O9S/c1-28(2)65(61,62)36-9-4-3-7-33(36)50-40-32(45)26-48-44(52-40)49-29-10-12-30(13-11-29)54-19-17-53(18-20-54)21-23-64-25-24-63-22-16-46-38(57)27-47-34-8-5-6-31-39(34)43(60)55(42(31)59)35-14-15-37(56)51-41(35)58/h3-13,26,28,35,47H,14-25,27H2,1-2H3,(H,46,57)(H,51,56,58)(H2,48,49,50,52)
• PubChem CID: 134812843
• Molecular Weight: 931.46

Associated Targets(Human)

CRBN Tclin Protein cereblon (0 Activities)

Discover Target: CRBN

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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 93.15, Max Conc. mM: 100
• Sensitivity: Moisture & Light sensitive
• Molecular Weight: 931.500 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 20
• Exact Mass: 930.325 Da
• Monoisotopic Mass: 930.325 Da
• Topological Polar Surface Area: 242.000 Ų
• Heavy Atom Count: 65
• Formal Charge: 0
• Complexity: 1740.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1