MedKoo Cat#: 128040 | Name: BRD-PS

Description:

WARNING: This product is for research use only, not for human or veterinary use.

BRD-PS is a BRD4-targeting photosensitizer. BRD-PS induces immunogenic pyroptosis and ferroptosis to promote the activation and tumor infiltration of cytotoxic T cells. BRD-PS suppresses the expression of PD-L1 to avoid immune evasion. This work demonstrated the feasibility of utilizing a single photosensitizer to simultaneously induce immunogenic cell death and PD-L1 downregulation for synergistic cancer photoimmunotherapy.

Chemical Structure

BRD-PS
BRD-PS
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128040

Name: BRD-PS

CAS#: N/A

Chemical Formula: C46H42Cl2N8OS2

Exact Mass: 856.2300

Molecular Weight: 857.92

Elemental Analysis: C, 64.40; H, 4.93; Cl, 8.26; N, 13.06; O, 1.86; S, 7.47

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
BRD-PS; BRDPS; BRD PS
IUPAC/Chemical Name
(R)-5-((4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)benzyl)amino)-9-(diethylamino)benzo[a]phenothiazin-7-ium chloride
InChi Key
GFGMIIQBJAMCNA-XVYLPRMCSA-N
InChi Code
InChI=1S/C46H41ClN8OS2.ClH/c1-6-54(7-2)33-20-21-36-39(22-33)58-40-23-37(34-10-8-9-11-35(34)44(40)50-36)48-25-29-12-18-32(19-13-29)49-41(56)24-38-45-53-52-28(5)55(45)46-42(26(3)27(4)57-46)43(51-38)30-14-16-31(47)17-15-30;/h8-23,38,48H,6-7,24-25H2,1-5H3;1H/t38-;/m1./s1
SMILES Code
CCN(CC)C1=CC=C2C([S+]=C(C=C(N([H])CC3=CC=C(NC(C[C@H]4N=C(C5=CC=C(Cl)C=C5)C(C(C)=C(C)S6)=C6N7C4=NN=C7C)=O)C=C3)C8=C9C=CC=C8)C9=N2)=C1.[Cl-]
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 857.92 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Li P, Du Y, Qiu J, Jiang Q, Chen W, Zhang X, Li G, Li D, Shan G. Immune Checkpoint-Modulating Photosensitizer That Targets BRD4 for Cancer Photoimmunotherapy. J Med Chem. 2024 Oct 24. doi: 10.1021/acs.jmedchem.4c01362. Epub ahead of print. PMID: 39447075.