Cat. No.: HY-144763

XPO1-IN-1

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Based on 1 Customer Validation

XPO1-IN-1 (compound D4) is an orally active and potent XPO1 inhibitor, with an IC₅₀ of 24 nM in MM.1S cell. XPO1-IN-1 can efficiently induce cell apoptosis and cell cycle arrest. XPO1-IN-1 displays favorable metabolic stability and pharmacokinetic properties. XPO1-IN-1 can be used for multiple myeloma (MM) research.

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

Purity: 98.08%
CAS No.: 3033267-42-1
Formula: C₂₀H₁₅F₆N₅O₃S
Molecular Weight:519.42

Storage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

XPO1-IN-1 Chemical Structure

CAS No.: 3033267-42-1

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

Biological Activity

Description

IC₅₀ & Target

XPO1

Cellular Effect

Cell Line	Type	Value	Description	References
H9	IC₅₀	101.1 nM Compound: D4	Antiproliferative activity against human H9 cells assessed as inhibition of cell growth incubated for 4 hrs by CCK-8 assay Antiproliferative activity against human H9 cells assessed as inhibition of cell growth incubated for 4 hrs by CCK-8 assay	[PMID: 35367710]
MM1.S	IC₅₀	24 nM Compound: D4	Antiproliferative activity against human MM1.S cells assessed as inhibition of cell growth incubated for 4 hrs by CCK-8 assay Antiproliferative activity against human MM1.S cells assessed as inhibition of cell growth incubated for 4 hrs by CCK-8 assay	[PMID: 35367710]
NAMALVA	IC₅₀	77.7 nM Compound: D4	Antiproliferative activity against human NAMALVA cells assessed as inhibition of cell growth incubated for 4 hrs by CCK-8 assay Antiproliferative activity against human NAMALVA cells assessed as inhibition of cell growth incubated for 4 hrs by CCK-8 assay	[PMID: 35367710]
YT	IC₅₀	75.4 nM Compound: D4	Antiproliferative activity against human YT cells assessed as inhibition of cell growth incubated for 4 hrs by CCK-8 assay Antiproliferative activity against human YT cells assessed as inhibition of cell growth incubated for 4 hrs by CCK-8 assay	[PMID: 35367710]

In Vitro

XPO1-IN-1 (compound D4) (24 h) shows high anti-proliferation efficacy in MM.1S cell and lymphomatous cell lines^[1].
XPO1-IN-1 (0-10 μM, 24 h) induces cancer cell cycle arrest^[1].
XPO1-IN-1 (0-10 μM, 48 h) induces apoptosis of MM.1S cell^[1].
XPO1-IN-1 (0-10 μM, 2 h) inhibits XPO1-dependent nuclear export^[1].
XPO1-IN-1 shows the good metabolic stability, with more than 80% intact compound remained over rat plasma (2 h), and around 85% intact compound remained in liver microsomes (1 h)^[1].

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

Cell Proliferation Assay

Cell Line:

MM.1S, Mino, VAL, Rael, Namaiwa, Mutu, H9, JB6, and YT^[1]
Concentration:
Incubation Time:

24 h
Result:

Showed high anti-proliferation efficacy in MM.1S cell and lymphomatous cell lines (Mino, VAL, Rael, Namaiwa, Mutu, H9, JB6, and YT), with IC₅₀ values of 24, 80.2, 189.1, 201.8, 77.7, 158.2, 101.1, 154.1, and 75.4 nM, respectively.

Cell Cycle Analysis

Cell Line:

MM.1S cell^[1]
Concentration:

0, 0.1, 1, 5, and 10 μM
Incubation Time:

24 h
Result:

Induced cancer cell cycle arrest in high concentration (>100 nM), increased the population of cells arrested in G2 to 37.3% in 5 μM.

Apoptosis Analysis

Cell Line:

MM.1S cell^[1]
Concentration:

0, 0.1, 1, and 10 μM
Incubation Time:

48 h
Result:

Induced apoptosis, significantly increased the apoptotic cell rate to 64.7% (10 μM) when compared to the sample with negative control (6.7%).

Immunofluorescence

Cell Line:

MM.1S cell^[1]
Concentration:

0, 0.1, 1, and 10 μM
Incubation Time:

2 h
Result:

Inhibited XPO1-dependent nuclear export.

In Vivo

XPO1-IN-1 (compound D4) (Sprague Dawley rats; 10 mg/kg, IG; 1 mg/kg, IV; once) shows a good pharmacokinetic properties^[1]. Pharmacokinetic Parameters of XPO1-IN-1 in SD rats^[1].

Parameters	i.g. (10 mg/kg)	i.v. (1 mg/kg)
T_max (h)	2.17 ± 1.76	0.08
T_1/2 (h)	2.12 ± 0.16	2.32 ± 0.17
C_max (ng/mL)	1391.27 ± 586.77	1239.08 ± 152.54
AUC_0-t (ng/mL·h)	5774.13 ± 1461.41	1668.03 ± 229.48
AUC_0-∞ (ng/mL·h)	6387.17 ± 1637.18	1791.40 ± 236.56
CL (mL/h/kg)	1638.65 ± 431.97	565.30 ± 80.40
F (%)	34.6

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

Animal Model:

Sprague Dawley rats^[1]
Dosage:

10 mg/kg (IG), 1 mg/kg (IV)
Administration:

Oral gavage (IG), IV, once (Pharmacokinetic Analysis)
Result:

Showed a good pharmacokinetic properties, with relatively long half-life of 2.12 h (IG) and 2.32 h (IV), respectively, and decent bioavailability F (%) of 34.6%.

Chemical Information

CAS No. 3033267-42-1
Appearance Solid
Molecular Weight 519.42
Formula C₂₀H₁₅F₆N₅O₃S
Color White to off-white
SMILES

CS(=O)(NC1=CC=C(C=C1)/C(C(N)=O)=C\N2C=NC(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=N2)=O
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (192.52 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

1.9252 mL

9.6261 mL

19.2522 mL

5 mM

0.3850 mL

1.9252 mL

3.8504 mL

10 mM

0.1925 mL

0.9626 mL

1.9252 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 (4.81 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 (4.81 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 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (4.81 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, 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 (282 KB)
SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 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]. Qu B, et al. Design, synthesis and biological evaluation of sulfonamides inhibitors of XPO1 displaying activity against multiple myeloma cells. Eur J Med Chem. 2022;235:114257. [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	1.9252 mL	9.6261 mL	19.2522 mL	48.1306 mL
	5 mM	0.3850 mL	1.9252 mL	3.8504 mL	9.6261 mL
	10 mM	0.1925 mL	0.9626 mL	1.9252 mL	4.8131 mL
	15 mM	0.1283 mL	0.6417 mL	1.2835 mL	3.2087 mL
	20 mM	0.0963 mL	0.4813 mL	0.9626 mL	2.4065 mL
	25 mM	0.0770 mL	0.3850 mL	0.7701 mL	1.9252 mL
	30 mM	0.0642 mL	0.3209 mL	0.6417 mL	1.6044 mL
	40 mM	0.0481 mL	0.2407 mL	0.4813 mL	1.2033 mL
	50 mM	0.0385 mL	0.1925 mL	0.3850 mL	0.9626 mL
	60 mM	0.0321 mL	0.1604 mL	0.3209 mL	0.8022 mL
	80 mM	0.0241 mL	0.1203 mL	0.2407 mL	0.6016 mL
	100 mM	0.0193 mL	0.0963 mL	0.1925 mL	0.4813 mL

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XPO1-IN-1

MCE Bioactive Compound Library

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

XPO1-IN-1 Related Classifications

HY-144763 Related Classifications