2-[(3-endo)-3-[[5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolyl]methoxy]-8-azabicyclo[3.2.1]oct-8-yl]-4-fluoro-6-benzothiazolecarboxylic acid

CAS Registry Number®

1383816-29-2

CAS Name

2-[(3-endo)-3-[[5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolyl]methoxy]-8-azabicyclo[3.2.1]oct-8-yl]-4-fluoro-6-benzothiazolecarboxylic acid

Molecular Formula

C29H25F4N3O5S

Molecular Mass

603.58

Cite this Page

2-[(3-endo)-3-[[5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolyl]methoxy]-8-azabicyclo[3.2.1]oct-8-yl]-4-fluoro-6-benzothiazolecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1383816-29-2 (retrieved 2024-11-21) (CAS RN: 1383816-29-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18+

InChIKey

InChIKey=VYLOOGHLKSNNEK-PIIMJCKONA-N

SMILES

O(CC=1C(=NOC1C2CC2)C3=C(OC(F)(F)F)C=CC=C3)[C@@H]4C[C@]5(N([C@@](C4)(CC5)[H])C6=NC=7C(S6)=CC(C(O)=O)=CC7F)[H]

Canonical SMILES

O=C(O)C=1C=C(F)C=2N=C(SC2C1)N3C4CCC3CC(OCC=5C(=NOC5C6CC6)C=7C=CC=CC7OC(F)(F)F)C4

Other Names for this Substance

  • 6-Benzothiazolecarboxylic acid, 2-[(3-endo)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolyl]methoxy]-8-azabicyclo[3.2.1]oct-8-yl]-4-fluoro-
  • 2-[(3-endo)-3-[[5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolyl]methoxy]-8-azabicyclo[3.2.1]oct-8-yl]-4-fluoro-6-benzothiazolecarboxylic acid
  • Tropifexor
  • LJN 452

Deleted or Replaced CAS Registry Numbers

2128683-46-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration