1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

CAS Registry Number®

289042-12-2

CAS Name

1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Molecular Formula

C29H40FN3O6S

Molecular Mass

577.71

Cite this Page

1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=289042-12-2 (retrieved 2024-11-22) (CAS RN: 289042-12-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H40FN3O6S/c1-18(2)25-23(15-14-21-16-22(38-29(6,7)37-21)17-24(34)39-28(3,4)5)26(19-10-12-20(30)13-11-19)32-27(31-25)33(8)40(9,35)36/h10-15,18,21-22H,16-17H2,1-9H3/b15-14+/t21-,22-/m1/s1

InChIKey

InChIKey=WIFPCEOJTKZGSA-UQECUQMJSA-N

SMILES

C(=C/[C@@H]1C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O1)\C=2C(=NC(N(S(C)(=O)=O)C)=NC2C(C)C)C3=CC=C(F)C=C3

Canonical SMILES

O=C(OC(C)(C)C)CC1OC(OC(C=CC=2C(=NC(=NC2C(C)C)N(C)S(=O)(=O)C)C=3C=CC(F)=CC3)C1)(C)C

Other Names for this Substance

  • 1,3-Dioxane-4-acetic acid, 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-
  • 1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Deleted or Replaced CAS Registry Numbers

1354641-87-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration