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Details

Stereochemistry ACHIRAL
Molecular Formula C21H14Br2N2O3
Molecular Weight 502.155
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TH-9402 FREE BASE

SMILES

COC(=O)C1=C(C=CC=C1)C2=C3C=CC(=N)C(Br)=C3OC4=C2C=CC(N)=C4Br

InChI

InChIKey=QDBPSMVYZMGGGG-UHFFFAOYSA-N
InChI=1S/C21H14Br2N2O3/c1-27-21(26)11-5-3-2-4-10(11)16-12-6-8-14(24)17(22)19(12)28-20-13(16)7-9-15(25)18(20)23/h2-9,24H,25H2,1H3

HIDE SMILES / InChI
TH9402 is a dibrominated rhodamine derivative and potent photosensitizer and useful in photodynamic therapy. TH9402 preferentially localizes in mitochondria and when exposed to 500- to 600-nm wavelength visible light delivered through the Theralux device, it becomes highly cytotoxic through oxidative damage. TH9402 eradicates multiple myeloma (MM) and BC cell lines, while sparing more than 50% of normal pluripotential blood stem cells from healthy volunteers. TH9402 offers an excellent potential as an ex vivo photodynamic purging agent for autologous transplantation in multiple myeloma and breast cancer treatment. TH9402 photodynamic-cell-therapy process conditions recognized as safe for normal human haematopoietic stem cells and progenitors demonstrated the efficacy of the purging procedure on various leukaemias.

Approval Year

Name Type Language
TH-9402 FREE BASE
Common Name English
4,5 DIBROMORHODAMINE METHYL ESTER
Common Name English
4,5-DIBROMORHODAMINE 123 FREE BASE
Common Name English
4,5-DIBROMORHODAMINE METHYL ESTER
Common Name English
BENZOIC ACID, 2-(6-AMINO-4,5-DIBROMO-3-IMINO-3H-XANTHEN-9-YL)-, METHYL ESTER
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 269808
Created by admin on Sat Dec 16 04:49:39 GMT 2023 , Edited by admin on Sat Dec 16 04:49:39 GMT 2023
FDA ORPHAN DRUG 255507
Created by admin on Sat Dec 16 04:49:39 GMT 2023 , Edited by admin on Sat Dec 16 04:49:39 GMT 2023
FDA ORPHAN DRUG 246307
Created by admin on Sat Dec 16 04:49:39 GMT 2023 , Edited by admin on Sat Dec 16 04:49:39 GMT 2023
Code System Code Type Description
CAS
1373958-68-9
Created by admin on Sat Dec 16 04:49:39 GMT 2023 , Edited by admin on Sat Dec 16 04:49:39 GMT 2023
PRIMARY
PUBCHEM
9871945
Created by admin on Sat Dec 16 04:49:39 GMT 2023 , Edited by admin on Sat Dec 16 04:49:39 GMT 2023
PRIMARY
FDA UNII
934QHK1OOK
Created by admin on Sat Dec 16 04:49:39 GMT 2023 , Edited by admin on Sat Dec 16 04:49:39 GMT 2023
PRIMARY