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SML2335

IACS-9571 trifluoroacetate salt

≥98% (HPLC)

别名:

IACS 009571-001-4 trifluoroacetate, N-(6-(3-(4-(Dimethylamino)butoxy)-5-propoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-3,4-dimethoxybenzenesulfonamide trifluoroacetate, N-[6-[3-[4-(Dimethylamino)butoxy]-5-propoxyphenoxy]-2,3-dihydro-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide trifluoroacetate

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关于此项目

经验公式（希尔记法）:
C32H42N4O8S · CF3CO2H
化学文摘社编号:
1883598-69-3
分子量:
756.79
UNSPSC Code:
12352200
NACRES:
NA.21
Assay:
≥98% (HPLC)
Form:
powder
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assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=S(C1=CC=C(C(OC)=C1)OC)(NC2=C(C=C(C3=C2)N(C(N3C)=O)C)OC4=CC(OCCC)=CC(OCCCCN(C)C)=C4)=O.FC(F)(C(O)=O)F

InChI

1S/C32H42N4O8S.C2HF3O2/c1-8-14-42-22-16-23(43-15-10-9-13-34(2)3)18-24(17-22)44-30-21-28-27(35(4)32(37)36(28)5)20-26(30)33-45(38,39)25-11-12-29(40-6)31(19-25)41-7;3-2(4,5)1(6)7/h11-12,16-21,33H,8-10,13-15H2,1-7H3;(H,6,7)

InChI key

GAOCLDPTFLDJIP-UHFFFAOYSA-N

相关类别

Biochem/physiol Actions

IACS-9571 is a dimethylamine analogue.
High affinity, potent and selective dual BRPF1 & TRIM24 bromodomain (BrD) inhibitor with good pharmacokinetics and oral availability in mice in vivo.
IACS-9571 is a high-affinity, potent TRIM24/BRPF1 bromodomain (BrD) inhibitor (Kd = 1.3/2.1 nM by DiscoveRx) with good selectivity over other BrDs (BRPF2/3 Kd = 12/27 nM, BAZ2B/TAF1 BrD2/BRD4 BrD1,2 Kd = 0.4/1.8/>10 μM by DiscoveRx; ≤63% binding inhibition of 25 other BrDs at 1 μM). IACS-9571 potently blocks H3K23Ac peptide from TRIM24 BrD binding (IC50 = 7.6 nM) and displaces ectopically expressed TRIM24 PHD-BrD from endogenous histone H3 in 2-hr 5 μM SAHA-stimulated HeLa cells (IC50 = 50 nM). When adiministered in mice, IACS-9571 exhibits good pharmacokinetics and oral availability in vivo (F = 29%, 10 mg/kg p.o.).

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

法规信息

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分析证书(COA)

Lot/Batch Number
0000059504
0000059505
0000048219

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Structure-guided design of IACS-9571, a selective high-affinity dual TRIM24-BRPF1 bromodomain inhibitor
Palmer WS, et al.
Journal of medicinal chemistry, 59(4), 1440-1454 (2015)
Wylie S Palmer et al.
Journal of medicinal chemistry, 59(4), 1440-1454 (2015-06-11)
The bromodomain containing proteins TRIM24 (tripartite motif containing protein 24) and BRPF1 (bromodomain and PHD finger containing protein 1) are involved in the epigenetic regulation of gene expression and have been implicated in human cancer. Overexpression of TRIM24 correlates with
Yanai Zhan et al.
Epigenetics & chromatin, 8, 37-37 (2015-09-24)
Proteins that 'read' the histone code are central elements in epigenetic control and bromodomains, which bind acetyl-lysine motifs, are increasingly recognized as potential mediators of disease states. Notably, the first BET bromodomain-based therapies have entered clinical trials and there is
Lara N Gechijian et al.
Nature chemical biology, 14(4), 405-412 (2018-03-07)
The addressable pocket of a protein is often not functionally relevant in disease. This is true for the multidomain, bromodomain-containing transcriptional regulator TRIM24. TRIM24 has been posited as a dependency in numerous cancers, yet potent and selective ligands for the

全球贸易项目编号

货号GTIN
SML2335-5MG04061838695802
SML2335-25MG04061838695796

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