Cat. No.: HY-101121

NI-42

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Based on 1 Customer Validation

NI-42 (compound 13-d), a structurally orthogonal chemical probe for the BRPFs, is a biased, potent inhibitor of the BRD of the BRPFs (IC₅₀s of BRPF1/2/3=7.9/48/260 nM; K_ds of BRPF1/2/3=40/210/940 nM) with excellent selectivity over nonclass IV BRD proteins.

For research use only. We do not sell to patients.

Purity: 99.53%
CAS No.: 1884640-99-6
Formula: C₁₈H₁₅N₃O₃S
Molecular Weight:353.40

Storage:

Powder -20°C, 3 years ; In solvent -80°C, 6 months , -20°C, 1 month

NI-42 Chemical Structure

CAS No.: 1884640-99-6

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
Chemical Information
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Bioz

Biological Activity

Description

IC₅₀ & Target^[1]

BRPF1

7.9 nM (IC₅₀)

BRPF2

48 nM (IC₅₀)

BRPF3

260 nM (IC₅₀)

BRPF1

40 nM (Kd)

BRPF2

210 nM (Kd)

BRPF3

940 nM (Kd)

BRD4 (BD1)

4500 nM (IC₅₀)

BRD7

82 nM (IC₅₀)

BRD9

310 nM (IC₅₀)

BRD9

1130 nM (Kd)

All Epigenetic Reader Domain Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
AGS	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human AGS cells after 72 hrs Growth inhibition of human AGS cells after 72 hrs	[PMID: 28068087]
ASPC1	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human AsPC1 cells after 72 hrs Growth inhibition of human AsPC1 cells after 72 hrs	[PMID: 28068087]
COLO 205	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human COLO205 cells after 72 hrs Growth inhibition of human COLO205 cells after 72 hrs	[PMID: 28068087]
CWR22R	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human 22Rv1 cells after 72 hrs Growth inhibition of human 22Rv1 cells after 72 hrs	[PMID: 28068087]
DMS-114	GI₅₀	16.6 μM Compound: 15; Nl-42	Inhibition of cell proliferation of human DMS114 cells after 72 hrs by MTS assay Inhibition of cell proliferation of human DMS114 cells after 72 hrs by MTS assay	[PMID: 28714688]
HCC1187	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human HCC1187 cells after 72 hrs Growth inhibition of human HCC1187 cells after 72 hrs	[PMID: 28068087]
HepG2	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human HepG2 cells after 72 hrs Growth inhibition of human HepG2 cells after 72 hrs	[PMID: 28068087]
Hs 766	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human Hs766T cells after 72 hrs Growth inhibition of human Hs766T cells after 72 hrs	[PMID: 28068087]
HuP-T4	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human HUPT4 cells after 72 hrs Growth inhibition of human HUPT4 cells after 72 hrs	[PMID: 28068087]
IM-9	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human IM9 cells after 72 hrs Growth inhibition of human IM9 cells after 72 hrs	[PMID: 28068087]
KG-1	GI₅₀	7 μM Compound: 13-d; NI-42	Growth inhibition of human KG1 cells after 72 hrs Growth inhibition of human KG1 cells after 72 hrs	[PMID: 28068087]
LoVo	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human LoVo cells after 72 hrs Growth inhibition of human LoVo cells after 72 hrs	[PMID: 28068087]
LS180	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human LS180 cells after 72 hrs Growth inhibition of human LS180 cells after 72 hrs	[PMID: 28068087]
MV4-11	GI₅₀	9.9 μM Compound: 13-d; NI-42	Growth inhibition of human MV4-11 cells after 72 hrs Growth inhibition of human MV4-11 cells after 72 hrs	[PMID: 28068087]
NCI-H1437	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human NCI-H1437 cells after 72 hrs Growth inhibition of human NCI-H1437 cells after 72 hrs	[PMID: 28068087]
NCI-H1703	GI₅₀	>30 μM Compound: 15; Nl-42	Inhibition of cell proliferation of human NCI-H1703 cells after 72 hrs by MTS assay Inhibition of cell proliferation of human NCI-H1703 cells after 72 hrs by MTS assay	[PMID: 28714688]
NOMO-1	GI₅₀	4.6 μM Compound: 13-d; NI-42	Growth inhibition of human NOMO1 cells after 72 hrs Growth inhibition of human NOMO1 cells after 72 hrs	[PMID: 28068087]
NUGC-4	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human NUGC4 cells after 72 hrs Growth inhibition of human NUGC4 cells after 72 hrs	[PMID: 28068087]
OCI-AML2	GI₅₀	1.3 μM Compound: 13-d; NI-42	Growth inhibition of human OCI-AML2 cells after 72 hrs Growth inhibition of human OCI-AML2 cells after 72 hrs	[PMID: 28068087]
OCI-LY19	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human OCI-LY19 cells after 72 hrs Growth inhibition of human OCI-LY19 cells after 72 hrs	[PMID: 28068087]
RKO	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human RKO cells after 72 hrs Growth inhibition of human RKO cells after 72 hrs	[PMID: 28068087]
SK-CO-1	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human SKCO1 cells after 72 hrs Growth inhibition of human SKCO1 cells after 72 hrs	[PMID: 28068087]
SNU-5	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human SNU5 cells after 72 hrs Growth inhibition of human SNU5 cells after 72 hrs	[PMID: 28068087]
SW48	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human SW48 cells after 72 hrs Growth inhibition of human SW48 cells after 72 hrs	[PMID: 28068087]
SW-620	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human SW620 cells after 72 hrs Growth inhibition of human SW620 cells after 72 hrs	[PMID: 28068087]
SW948	GI₅₀	1 μM Compound: 13-d; NI-42	Growth inhibition of human SW948 cells after 72 hrs Growth inhibition of human SW948 cells after 72 hrs	[PMID: 28068087]
THP-1	GI₅₀	5.7 μM Compound: 13-d; NI-42	Growth inhibition of human THP1 cells after 72 hrs Growth inhibition of human THP1 cells after 72 hrs	[PMID: 28068087]

In Vitro

NI-42 shows IC₅₀s of 82, 310, and 4500 nM for BRD7, BRD9, and BRD4 (BD1), respectively, and has a K_d of 1130 nM for BRD9^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Chemical Information

CAS No. 1884640-99-6
Appearance Solid
Molecular Weight 353.40
Formula C₁₈H₁₅N₃O₃S
Color Off-white to pink
SMILES

O=S(C1=CC=C(C#N)C=C1)(NC2=CC=C(N(C)C(C(C)=C3)=O)C3=C2)=O
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (282.97 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.8297 mL

14.1483 mL

28.2965 mL

5 mM

0.5659 mL

2.8297 mL

5.6593 mL

10 mM

0.2830 mL

1.4148 mL

2.8297 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 2.5 mg/mL (7.07 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: 2.5 mg/mL (7.07 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2.5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (272 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Portuguese - PT (393 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Igoe N, et al. Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies. J Med Chem. 2017 Jan 26;60(2):668-680. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.8297 mL	14.1483 mL	28.2965 mL	70.7414 mL
	5 mM	0.5659 mL	2.8297 mL	5.6593 mL	14.1483 mL
	10 mM	0.2830 mL	1.4148 mL	2.8297 mL	7.0741 mL
	15 mM	0.1886 mL	0.9432 mL	1.8864 mL	4.7161 mL
	20 mM	0.1415 mL	0.7074 mL	1.4148 mL	3.5371 mL
	25 mM	0.1132 mL	0.5659 mL	1.1319 mL	2.8297 mL
	30 mM	0.0943 mL	0.4716 mL	0.9432 mL	2.3580 mL
	40 mM	0.0707 mL	0.3537 mL	0.7074 mL	1.7685 mL
	50 mM	0.0566 mL	0.2830 mL	0.5659 mL	1.4148 mL
	60 mM	0.0472 mL	0.2358 mL	0.4716 mL	1.1790 mL
	80 mM	0.0354 mL	0.1769 mL	0.3537 mL	0.8843 mL
	100 mM	0.0283 mL	0.1415 mL	0.2830 mL	0.7074 mL

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NI-42

Epigenetics Compound Library

Histone Modification Research Compound Library

Anti-Cancer Compound Library

Reprogramming Compound Library

Anti-Blood Cancer Compound Library

Anti-Hematopathy Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

All Epigenetic Reader Domain Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

NI-42

Epigenetics Compound Library

Histone Modification Research Compound Library

Anti-Cancer Compound Library

Reprogramming Compound Library

Anti-Blood Cancer Compound Library

Anti-Hematopathy Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

All Epigenetic Reader Domain Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

NI-42 Related Classifications

Cat. No.: HY-101121