SHP2/HDAC-IN-1

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SHP2/HDAC-IN-1 is a dual allosteric SHP2/HDAC inhibitor with IC₅₀ values of 20.4 nM (SHP2) and 25.3 nM (HDAC1) respectively. SHP2/HDAC-IN-1 triggers efficient antitumor immunity by activating T cells, enhancing the antigen presentation function and promoting cytokine secretion. SHP2/HDAC-IN-1 can be used in the research of cancer immunoresearch.

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

SHP2/HDAC-IN-1 Chemical Structure

CAS No. : 2831230-38-5

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•Related Small Molecules:

•Related Proteins:

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View All Isoforms

HDAC HDAC1 HDAC2 HDAC3 HDAC4 HDAC5 HDAC6 HDAC7 HDAC8 HDAC9 HDAC10 HDAC11 HD1 HD2

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

HDAC1

25 nM (IC₅₀)

HDAC2

79 nM (IC₅₀)

HDAC3

233 nM (IC₅₀)

HDAC6

27 nM (IC₅₀)

SHP2

20.4 nM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
4T1	IC₅₀	5.43 μM Compound: 8t	Antiproliferative activity against mouse 4T1 cells assessed as cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against mouse 4T1 cells assessed as cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36097406]
ASPC1	IC₅₀	2.31 μM Compound: 8t	Antiproliferative activity against human ASPC1 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human ASPC1 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36097406]
BXPC-3	IC₅₀	1.65 μM Compound: 8t	Antiproliferative activity against human BXPC-3 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human BXPC-3 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36097406]
KYSE-520 cell line	IC₅₀	1.95 μM Compound: 8t	Antiproliferative activity against human KYSE520 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human KYSE520 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36097406]
MV4-11	IC₅₀	0.07 μM Compound: 8t	Antiproliferative activity against human MV4-11 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human MV4-11 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36097406]
SW1990	IC₅₀	3.92 μM Compound: 8t	Antiproliferative activity against human SW1990 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human SW1990 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36097406]

In Vitro

SHP2/HDAC-IN-1 (compound 8t, 0-10 μM approximately, 72 h) inhibits the proliferation of BxPC-3, SW1990, AsPC-1and MV4-11 cells^[1].
SHP2/HDAC-IN-1 (0.25-1 μM, 24 h) increases the acetylation of α-tubulin and histone H3 in MV4-11 cells^[1].
SHP2/HDAC-IN-1 (0.25 μM, 24 h) inhibits cell cycle progression in the G1 phase of MV4-11 cells^[1].
SHP2/HDAC-IN-1 (0.25 and 0.5 μM, 24 h) decreases the mitochondrial membrane potential and activats caspase-3^[1].
SHP2/HDAC-IN-1 (2 h) shows good stability in in mouse liver microsome^[1].

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

Cell Proliferation Assay^[1]

Cell Line:	Pancreatic carcinoma (BxPC-3, SW1990, and AsPC-1), acute monocytic leukemia (MV4-11)
Concentration:	0-10 μM approximately
Incubation Time:	72 h
Result:	Inhibited cell proliferation with IC₅₀s range of 0.07 μM-3.92 μM.

Western Blot Analysis^[1]

Cell Line:	MV4-11 cells
Concentration:	0.25, 0.5, 1 μM
Incubation Time:	24 h
Result:	Increased the acetylation of α-tubulin and histone H3. Inhibited the phosphorylation level of ERK.

In Vivo

SHP2/HDAC-IN-1 (compound 8t, 40 mg/kg, p.o.) inhibits tumor growth in MV4-11 and 4T1 tumor-bearing xenograft mice^[1].
SHP2/HDAC-IN-1 (20 mg/kg p.o., 1 mg/kg i.v.) exhibits good maximum plasma concentrations in rats^[1].

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

Animal Model:	MV4-11 tumor-bearing xenograft mice^[1]
Dosage:	40 mg/kg
Administration:	Oral adminstration (p.o.), every day for 20 consecutive days.
Result:	Delayed tumor progression with a tumor growth inhibition rate (TGI %) value of 64.0%, with no obvious signs of toxicity.

Animal Model:	4T1 murine breast cancer model^[1]
Dosage:	40 mg/kg
Administration:	Oral adminstration (p.o.), every day for 12 consecutive days.
Result:	Significantly decreased tumor burden with a TGI value of 72%. Increased the proportions of CD4+ T cells and CD8+ T cells in the spleen. Enhanced the proportion of mDCs in lymph nodes.

Animal Model:

Male Sprague-Dawley (SD) rats (Pharmacokinetic assay)^[1]

Dosage:

20 mg/kg p.o., 1 mg/kg i.v.

Administration:

Oral adminstration (p.o.) or intravenous injection (i.v.)

Result:

Pharmacokinetic profile of SHP2/HDAC-IN-1 (compound 8t).

dose (mg/kg)	T_1/2 (h)	C_max (ng/mL)	Cl (mL/h/kg)	F (%)
20 (p.o.)	5.32	1835		21.42
1 (i.v.)	6.15	3517	326

Molecular Weight

660.59

Formula

C₃₄H₃₅Cl₂N₇O₃

CAS No.

2831230-38-5

SMILES

O=C(NCC1=CC=C(/C=C/C(NO)=O)C=C1)C2=CC=C(CNC3(C)CCN(C4=NC(N)=C(C5=C(Cl)C(Cl)=CC=C5)N=C4)CC3)C=C2

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Meng Liu, et al. Discovery of Novel Src Homology-2 Domain-Containing Phosphatase 2 and Histone Deacetylase Dual Inhibitors with Potent Antitumor Efficacy and Enhanced Antitumor Immunity. J Med Chem. 2022 Sep 22;65(18):12200-12218. [Content Brief]

SHP2/HDAC-IN-1 Related Classifications

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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:

SHP2/HDAC-IN-12831230-38-5SHP2PhosphataseHDACSrc homology phosphatase 2PTPN11Histone deacetylasesTumorT cellantigen presentationimmunitycancerMV4-114T1Inhibitorinhibitorinhibit

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