IACS-9571
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407114

CAS#: 1800477-30-8 (free base)

Description: IACS-9571 is a potent and selective inhibitor TRIM24 and BRPF1. IACS-9571 has low nanomolar affinities for TRIM24 and BRPF1 (ITC Kd = 31 nM and 14 nM, respectively). With its excellent cellular potency (EC50 = 50 nM) and favorable pharmacokinetic properties (F = 29%), IACS-9571 is a high-quality chemical probe for the evaluation of TRIM24 and/or BRPF1 bromodomain function in vitro and in vivo.


Chemical Structure

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IACS-9571
CAS# 1800477-30-8 (free base)

Theoretical Analysis

MedKoo Cat#: 407114
Name: IACS-9571
CAS#: 1800477-30-8 (free base)
Chemical Formula: C32H42N4O8S
Exact Mass: 642.27234
Molecular Weight: 642.77
Elemental Analysis: C, 59.80; H, 6.59; N, 8.72; O, 19.91; S, 4.99

Size Price Shipping out time Quantity
2mg USD 150 Same day
5mg USD 250 Same day
10mg USD 450 Same day
25mg USD 950 Same day
50mg USD 1650 Same day
100mg USD 2650 Same day
Inquire bulk and customized quantity

Pricing updated 2021-02-28. Prices are subject to change without notice.

IACS-9571, purity > 98%, is in stock. The same day shipping out after order is received.

Related CAS #: 1800477-30-8 (free base)   883598-69-3 (TFA salt)    

Synonym: IACS-9571; IACS 9571; IACS9571; IACS 009571-001-4

IUPAC/Chemical Name: 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

InChi Key: HYQBRUSSCIAOOD-UHFFFAOYSA-N

InChi Code: InChI=1S/C32H42N4O8S/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/h11-12,16-21,33H,8-10,13-15H2,1-7H3

SMILES Code: O=S(C1=CC=C(OC)C(OC)=C1)(NC2=C(OC3=CC(OCCC)=CC(OCCCCN(C)C)=C3)C=C(N(C)C(N4C)=O)C4=C2)=O

Appearance:
Solid powder

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:
Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

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

Preparing Stock Solutions

The following data is based on the product molecular weight 642.77 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.

Select a batch to recalculate based on the batch molecular weight:
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

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1: Zhan Y, Kost-Alimova M, Shi X, Leo E, Bardenhagen JP, Shepard HE, Appikonda S, Vangamudi B, Zhao S, Tieu TN, Jiang S, Heffernan TP, Marszalek JR, Toniatti C, Draetta G, Tyler J, Barton M, Jones P, Palmer WS, Geck Do MK, Andersen JN. Development of novel cellular histone-binding and chromatin-displacement assays for bromodomain drug discovery. Epigenetics Chromatin. 2015 Sep 21;8:37. doi: 10.1186/s13072-015-0026-4. eCollection 2015. PubMed PMID: 26396593; PubMed Central PMCID: PMC4578755.

2: Palmer WS, Poncet-Montange G, Liu G, Petrocchi A, Reyna N, Subramanian G, Theroff J, Yau A, Kost-Alimova M, Bardenhagen JP, Leo E, Shepard HE, Tieu TN, Shi X, Zhan Y, Zhao S, Barton MC, Draetta G, Toniatti C, Jones P, Geck Do M, Andersen JN. Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J Med Chem. 2016 Feb 25;59(4):1440-54. doi: 10.1021/acs.jmedchem.5b00405. Epub 2015 Jul 6. PubMed PMID: 26061247; PubMed Central PMCID: PMC4755933.



Additional Information

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 poor patient prognosis and BRPF1 is a scaffolding protein required for the assembly of histone acetyltransferase complexes, where the gene of MOZ (monocytic leukemia zinc finger protein) was first identified as a recurrent fusion partner in leukemia patients (8p11 chromosomal rearrangements).