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Chemistry

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Also known as: E3330, 136164-66-4, E-3330, E 3330, Apx3330, Chembl578390
Molecular Formula
C21H30O6
Molecular Weight
378.5  g/mol
InChI Key
AALSSIXXBDPENJ-FYWRMAATSA-N
FDA UNII
11267UI968

APX3330
APE1/Ref-1 Redox Inhibitor APX3330 is an orally bioavailable inhibitor of apurinic/apyrimidinic endonuclease 1/reduction-oxidation (redox) effector factor-1 (APE1/Ref-1; APEX1), with potential anti-angiogenic and antineoplastic activities. Upon administration, the APE1/Ref-1 Inhibitor APX3330 selectively targets and binds to APE1/Ref-1. This inhibits the redox-dependent signaling activity of APE1/Ref-1, by preventing the reduction and activation of numerous APE1/Ref-1-dependent oncogenic transcription factors (TFs), such as nuclear factor kappa B (NF-kB), AP-1, STAT3, p53, NRF2 and HIF-1alpha, that are involved in signaling, cell proliferation, tumor progression and survival of cancer cells. Therefore, this agent inhibits the activation of multiple TF-mediated signaling pathways and inhibits tumor cell proliferation and survival. APE1/Ref-1, a multifunctional protein overexpressed in many cancer cell types, plays a key role as a redox regulator of transcription factor activation and in base excision repair upon DNA damage. It drives cancer cell proliferation, migration, drug resistance, angiogenesis and inflammation and its expression level correlates with increased tumor aggressiveness and decreased patient survival. APX3330 specifically blocks the redox activity of APE1/Ref-1 and does not affect its ability to act as a DNA repair endonuclease.
1 2D Structure

APX3330

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
2.1.2 InChI
InChI=1S/C21H30O6/c1-5-6-7-8-9-10-11-12-15(21(24)25)13-16-14(2)17(22)19(26-3)20(27-4)18(16)23/h13H,5-12H2,1-4H3,(H,24,25)/b15-13+
2.1.3 InChI Key
AALSSIXXBDPENJ-FYWRMAATSA-N
2.1.4 Canonical SMILES
CCCCCCCCCC(=CC1=C(C(=O)C(=C(C1=O)OC)OC)C)C(=O)O
2.1.5 Isomeric SMILES
CCCCCCCCC/C(=C\C1=C(C(=O)C(=C(C1=O)OC)OC)C)/C(=O)O
2.2 Other Identifiers
2.2.1 UNII
11267UI968
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (2e)-3-(5-(2,3-dimethoxy-6-methyl-1,4-benzoquinoyl))-2-nonyl-2-propenoic Acid

2. E 3330

3. E-3330

4. E3330

2.3.2 Depositor-Supplied Synonyms

1. E3330

2. 136164-66-4

3. E-3330

4. E 3330

5. Apx3330

6. Chembl578390

7. Apx 3330

8. 11267ui968

9. (e)-2-((4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylene)undecanoic Acid

10. Apx-3330

11. (2e)-3-(5-(2,3-dimethoxy-6-methyl-1,4-benzoquinoyl))-2-nonyl-2-propenoic Acid

12. Schembl3758716

13. Schembl3758719

14. Dtxsid201121926

15. Hms3886n15

16. Unii-11267ui968

17. Ex-a2212

18. Bdbm50303955

19. S7445

20. Zinc14252145

21. Ccg-268389

22. (2e)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]-undecanoic Acid

23. Hy-19357

24. Cs-0015424

25. E3330, >=98% (hplc)

26. Ape1/ref-1 Redox Inhibitor Apx3330

27. A14440

28. A911827

29. (e)-3-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dienyl)-2-nonylpropenoic Acid

30. (e)-3-(5,6-dimethoxy-3-methyl-14-dioxocyclohexa-25-dienyl)-2-nonylpropenoic Acid

31. (2e)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]undecanoic Acid

32. Undecanoic Acid, 2-((4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene)-, (2e)-

33. Undecanoic Acid, 2-((4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene)-, (e)-

2.4 Create Date
2006-04-28
3 Chemical and Physical Properties
Molecular Weight 378.5 g/mol
Molecular Formula C21H30O6
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass378.20423867 g/mol
Monoisotopic Mass378.20423867 g/mol
Topological Polar Surface Area89.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

APX3330 Manufacturers

A APX3330 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of APX3330, including repackagers and relabelers. The FDA regulates APX3330 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. APX3330 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

APX3330 Suppliers

A APX3330 supplier is an individual or a company that provides APX3330 active pharmaceutical ingredient (API) or APX3330 finished formulations upon request. The APX3330 suppliers may include APX3330 API manufacturers, exporters, distributors and traders.

APX3330 GMP

APX3330 Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of APX3330 GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right APX3330 GMP manufacturer or APX3330 GMP API supplier for your needs.

APX3330 CoA

A APX3330 CoA (Certificate of Analysis) is a formal document that attests to APX3330's compliance with APX3330 specifications and serves as a tool for batch-level quality control.

APX3330 CoA mostly includes findings from lab analyses of a specific batch. For each APX3330 CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

APX3330 may be tested according to a variety of international standards, such as European Pharmacopoeia (APX3330 EP), APX3330 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (APX3330 USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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