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Cat. No.: HY-150025

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(4aS,8aR)-NPD-001

(4aS,8aR)-NPD-001 is a potent and allosteric inhibitor of DNMT3A. (4aS,8aR)-NPD-001 inhibits DNMT3A activity by disrupting protein-protein interactions. (4aS,8aR)-NPD-001 induces apoptosis of acute myeloid leukemia (AML) cell lines. (4aS,8aR)-NPD-001 induces differentiation of distinct AML cell lines including cells with mutated DNMT3A R882.

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

CAS No.: 2366272-43-5
Formula: C₃₃H₄₀N₆O₄
Molecular Weight:584.71

Storage:

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

Data Sheet (269 KB)

(4aS,8aR)-NPD-001 Chemical Structure

CAS No.: 2366272-43-5

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Fluorescent Dye

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

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

Biological Activity

Description

IC₅₀ & Target

DNMT3A

All DNA Methyltransferase Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
HeLa	IC₅₀	>25 μM Compound: 15; MMV690027	Cytotoxicity against human HeLa cells assessed as reduction in cell viability after 48 hrs by resazurin dye based fluorescence assay Cytotoxicity against human HeLa cells assessed as reduction in cell viability after 48 hrs by resazurin dye based fluorescence assay	[PMID: 30647879]
Sf21	IC₅₀	0.004 μM Compound: 3, PPS54019	Inhibition of Trypanosoma brucei full length PDEB1 expressed in insect SF21 cells using cAMP as substrate by scintillation proximity assay Inhibition of Trypanosoma brucei full length PDEB1 expressed in insect SF21 cells using cAMP as substrate by scintillation proximity assay	[PMID: 23409953]

In Vitro

(4aS,8aR)-NPD-001 (compound 2) (60 μM) disrupts DNMT3A-DNMT3L interactions at the DNMT3A tetramer interface, inhibits the stimulation of DNMT3A_WT activity by DNMT3L, but does not inhibit the activation of DNMT3A_WT by H3 peptides^[1].
(4aS,8aR)-NPD-001 (0-120 μM, 100 min) inhibits the activation of DNMT3A_R882H by DNMT3L^[1].
(4aS,8aR)-NPD-001 (0-30 μM, 72 h) induces apoptosis and and differentiation in AML cell lines in a concentration-dependent manner^[1].
(4aS,8aR)-NPD-001 (5 μM, 20 days) leads to a time-dependent decrease of global 5-methylcytosine^[1].

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

Apoptosis Analysis^[1]

Cell Line:

Human AML cell lines
Concentration:

0, 1, 5, 10, 20, and 30 μM
Incubation Time:

72 h
Result:

Showed a dose-response effect with a marked increase in apoptosis in the 7-12 μM range. Led to a concentration-dependent increase in the myeloid differentiation marker, CD11b, in multiple PI-negative AML cell lines: MV411 (biphenotypic B myelomonocytic leukemia), MOLM13 (acute monocytic leukemia), THP-1 (acute monocytic leukemia), OCI-AML3 (DNMT3A R882 mutant, AML), KASUMI (acute myeloblastic leukemia), HL60 (acute promyelocytic leukemia), and K562 (chronic myelogenous leukemia).

Chemical Information

CAS No. 2366272-43-5
Molecular Weight 584.71
Formula C₃₃H₄₀N₆O₄
SMILES

O=C1N(C2CCCCCC2)N=C(C3=CC=C(OC)C(OCCCCOC4=CC=C(C5=NN=NN5)C=C4)=C3)[C@@]6([H])CC=CC[C@@]16[H]
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

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (269 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]. Sandoval JE, et al. First-in-Class Allosteric Inhibitors of DNMT3A Disrupt Protein-Protein Interactions and Induce Acute Myeloid Leukemia Cell Differentiation. J Med Chem. 2022 Jul 22. [Content Brief]

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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.

Keywords

100 mg

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