NI-42

Name: NI-42
Brand: MedChemExpress
SKU: HY-101121
Rating: 4.5 (1 reviews)

Cat. No.: HY-101121 Purity: 99.53%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

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.

NI-42 Chemical Structure

CAS No. : 1884640-99-6

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 88	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 88	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 80	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 130	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 260	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 400	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 630	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Based on 1 publication(s) in Google Scholar

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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)

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.

Molecular Weight

353.40

Formula

C₁₈H₁₅N₃O₃S

CAS No.

1884640-99-6

Appearance

Solid

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)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

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

View the Complete Stock Solution Preparation Table

* 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
Dilution Calculator

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

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

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

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.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
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.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

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

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

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).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.53%

Select Batch:

Data Sheet (272 KB) SDS (393 KB)

COA (248 KB) HNMR (259 KB) LCMS (93 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]

Complete Stock Solution Preparation Table

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

NI-42 Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

NI-421884640-99-6NI42NI 42Epigenetic Reader DomainInhibitorinhibitorinhibit

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NI-42

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Complete Stock Solution Preparation Table

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