BODIPY TR-X

CAS Registry Number®

197306-80-2

CAS Name

BODIPY TR-X

Molecular Formula

C31H29BF2N4O6S

Cite this Page

BODIPY TR-X.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=197306-80-2 (retrieved 2024-11-22) (CAS RN: 197306-80-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H29BF2N4O6S/c33-32(34)36-22(19-23-10-14-26(37(23)32)27-5-4-18-45-27)9-13-25(36)21-7-11-24(12-8-21)43-20-28(39)35-17-3-1-2-6-31(42)44-38-29(40)15-16-30(38)41/h4-5,7-14,18-19H,1-3,6,15-17,20H2,(H,35,39)

InChIKey

InChIKey=NCYPKNAEMUYMBG-UHFFFAOYSA-N

SMILES

[F-][B+3]1([F-])[N-]2C(=CC=C2C=C3[N]1=C(C=C3)C4=CC=CS4)C5=CC=C(OCC(NCCCCCC(ON6C(=O)CCC6=O)=O)=O)C=C5

Canonical SMILES

O=C(ON1C(=O)CCC1=O)CCCCCNC(=O)COC=2C=CC(=CC2)C3=CC=C4C=C5C=CC(C=6SC=CC6)=[N]5[B+3]([F-])([F-])[N-]43

Other Names for this Substance

  • Boron, [N-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-2-[4-[5-[[5-(2-thienyl)-2H-pyrrol-2-ylidene-κN]methyl]-1H-pyrrol-2-yl-κN]phenoxy]acetamidato]difluoro-, (T-4)-
  • (T-4)-[N-[6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-2-[4-[5-[[5-(2-thienyl)-2H-pyrrol-2-ylidene-κN]methyl]-1H-pyrrol-2-yl-κN]phenoxy]acetamidato]difluoroboron
  • BODIPY TR-X
  • BODIPY TR-X, SE
  • 6-(((4-(4,4-Difluoro-5-(2-thienyl)-4-bora-3a,4a-diaza-s-indacene-3-yl)phenoxy)acetyl)amino)hexanoic acid succimidyl ester

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Deleted or Replaced CAS Registry Numbers

217190-13-1, 423768-32-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration