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Details

Stereochemistry ACHIRAL
Molecular Formula C21H14Br2N2O3.ClH
Molecular Weight 538.6162
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TH-9402

SMILES

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

InChI

InChIKey=MUDCDMMNYVJLEB-UHFFFAOYSA-N
InChI=1S/C21H14Br2N2O3.ClH/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;1H

HIDE SMILES / InChI

Molecular Formula C21H14Br2N2O3
Molecular Weight 502.1553
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:44:14 GMT 2025
Edited
by admin
on Mon Mar 31 18:44:14 GMT 2025
Record UNII
RVY229824B
Record Status FAILED
Record Version
  • Download
Name Type Language
4,5-DIBROMORHODAMINE 123
Preferred Name English
TH-9402
Common Name English
XANTHYLIUM, 3,6-DIAMINO-4,5-DIBROMO-9-(2-(METHOXYCARBONYL)PHENYL)-, CHLORIDE
Systematic Name English
4,5-DIBROMORHODAMINE METHYL ESTER HYDROCHLORIDE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 166203
Created by admin on Mon Mar 31 18:44:14 GMT 2025 , Edited by admin on Mon Mar 31 18:44:14 GMT 2025
Code System Code Type Description
FDA UNII
RVY229824B
Created by admin on Mon Mar 31 18:44:14 GMT 2025 , Edited by admin on Mon Mar 31 18:44:14 GMT 2025
PRIMARY
CAS
174230-05-8
Created by admin on Mon Mar 31 18:44:14 GMT 2025 , Edited by admin on Mon Mar 31 18:44:14 GMT 2025
PRIMARY
PUBCHEM
9871944
Created by admin on Mon Mar 31 18:44:14 GMT 2025 , Edited by admin on Mon Mar 31 18:44:14 GMT 2025
PRIMARY
MESH
C121365
Created by admin on Mon Mar 31 18:44:14 GMT 2025 , Edited by admin on Mon Mar 31 18:44:14 GMT 2025
PRIMARY
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