Products 3075686-66-4

CAS 3075686-66-4 is the registry number for TNF-α-IN-24. Offered by: MedChemExpress. Available pack sizes: Get quote.

TNF-α-IN-24
MedChemExpress
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Structural formula: {0} (CAS {1})

(1S,11R)-5-[2-(1-aminocyclobutyl)pyrimidin-5-yl]-18-(difluoromethoxy)-12-methyl-8,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-2,4,6,9,14(19),15,17-heptaen-13-one (CAS 3075686-66-4) is a chemical compound with the molecular formula C27H24F2N6O2 and a molecular weight of 502.5 g/mol. IUPAC name: (1S,11R)-5-[2-(1-aminocyclobutyl)pyrimidin-5-yl]-18-(difluoromethoxy)-12-methyl-8,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-2,4,6,9,14(19),15,17-heptaen-13-one. InChIKey: LCTOLAIEWCBKHH-IEBWSBKVSA-N.

Identity
Molecular formulaC27H24F2N6O2
Molecular weight502.5 g/mol
IUPAC name(1S,11R)-5-[2-(1-aminocyclobutyl)pyrimidin-5-yl]-18-(difluoromethoxy)-12-methyl-8,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-2,4,6,9,14(19),15,17-heptaen-13-one
InChIKeyLCTOLAIEWCBKHH-IEBWSBKVSA-N
SMILESCN1[C@@H]2C[C@H](C3=C(C1=O)C=CC=C3OC(F)F)C4=C5C=C(C=CN5N=C24)C6=CN=C(N=C6)C7(CCC7)N

Computed by PubChem (NCBI)

Synonyms: orb3027448
Isomers (same molecular formula)
(1R,11R)-5-[2-(1-aminocyclobutyl)pyrimidin-5-yl]-18-(difluoromethoxy)-12-methyl-2,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-3(8),4,6,9,14(19),15,17-heptaen-13-one C27H24F2N6O2

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