MRS5698

cas: 1377273-00-1 — see every product listed under this CAS number, including other names

MRS5698 (CAS 1377273-00-1) is a chemical reagent available from Chemat. Available pack sizes: 1mg, Get quote. Offered by: TargetMol, MedChemExpress.

brandTargetMol
catalog numberT28106-1mg
cas1377273-00-1
size1mg
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Available pack sizes

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TargetMol 1mg 8083.02 Pln
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properties

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Structural formula: {0} (CAS {1})

(1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-[2-(3,4-difluorophenyl)ethynyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide (CAS 1377273-00-1) is a chemical compound with the molecular formula C28H23ClF2N6O3 and a molecular weight of 565.0 g/mol. IUPAC name: (1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-[2-(3,4-difluorophenyl)ethynyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide. InChIKey: LYLLLJJYBWLGHW-CIZVZKTGSA-N.

Identity
Molecular formulaC28H23ClF2N6O3
Molecular weight565.0 g/mol
IUPAC name(1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-[2-(3,4-difluorophenyl)ethynyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
InChIKeyLYLLLJJYBWLGHW-CIZVZKTGSA-N
SMILESCNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)C#CC5=CC(=C(C=C5)F)F)NCC6=CC(=CC=C6)Cl

Computed by PubChem (NCBI)

Synonyms: orb1699893
Isomers (same molecular formula)
1-[(3S,4S)-4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-3-fluoropiperidin-1-yl]-2-hydroxyethanone C28H23ClF2N6O3

Also listed as

MRS 5698 GLPBio CAS 1377273-00-1
MRS 5698 Biosynth CAS 1377273-00-1