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Chemistry

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Also known as: Avitinib, 1557267-42-1, Ac0010, N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide, Ex-acea0010, Abivertinib [usan]
Molecular Formula
C26H26FN7O2
Molecular Weight
487.5  g/mol
InChI Key
UOFYSRZSLXWIQB-UHFFFAOYSA-N
FDA UNII
CER0OPG92L

Abivertinib
Abivertinib is an orally available, irreversible, epidermal growth factor receptor (EGFR) mutant-selective inhibitor, with potential antineoplastic activity. Upon oral administration, abivertinib covalently binds to and inhibits the activity of mutant forms of EGFR, including the drug-resistant T790M EGFR mutant, which prevents signaling mediated by mutant forms of EGFR. This may both induce cell death and inhibit tumor growth in EGFR-mutated tumor cells. EGFR, a receptor tyrosine kinase that is mutated in a variety of cancers, plays a key role in tumor cell proliferation and tumor vascularization. As this agent is selective towards mutant forms of EGFR, its toxicity profile may be reduced when compared to non-selective EGFR inhibitors, which also inhibit wild-type EGFR.
1 2D Structure

Abivertinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
2.1.2 InChI
InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)
2.1.3 InChI Key
UOFYSRZSLXWIQB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)F
2.2 Other Identifiers
2.2.1 UNII
CER0OPG92L
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-propenamide, N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)-

2. 2-propenamide, N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)-, (2z)-2-butenedioate (1:1)

3. 2-propenamide, N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)-, (2z)-2-butenedioate, Hydrate (1:1:2)

4. A-610ma

5. A610ma

6. Abivertinib Maleate

7. Abivertinib Maleate Anhydrous

8. Abivertinib Maleate Dihydrate

9. Ac-0010

10. Ac-0010 Maleate Dihydrate

11. Ac-0010ma

12. Ac0010

13. Ac0010ma

14. Acea100610

15. Avitinib

16. Avitinib Maleate

17. Ex-acea0010

18. Ex-acea0010ma

19. Exacea0010ma

20. Fujovee

21. N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)acrylamide

22. Sti-5656

23. Sti5656

2.3.2 Depositor-Supplied Synonyms

1. Avitinib

2. 1557267-42-1

3. Ac0010

4. N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide

5. Ex-acea0010

6. Abivertinib [usan]

7. Acea100610

8. Cer0opg92l

9. Ac-0010

10. A610

11. Abivertinib (usan)

12. 1557267-42-1 (free Base)

13. N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide

14. 2-propenamide, N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)-

15. 2-propenamide, N-[3-[[2-[[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-

16. N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)prop-2-enamide

17. N-(3-{2-[3-fluoro-4-(4-methyl-piperazin-1-yl)-phenylamino]-7h-pyrrolo[2,3-d]pyrimidin-4-yloxy-phenyl)-acrylamide

18. Avitinib Free Base

19. Fujovee

20. Avitinib (ac0010)

21. Unii-cer0opg92l

22. Abivertinib [inn]

23. Avitinib (superceded Inn)

24. Avitinib [who-dd]

25. Abivertinib [who-dd]

26. Chembl4297865

27. Schembl15453394

28. Gtpl10044

29. Ex-a783

30. Bdbm294480

31. Avitinib(ac0010/ac0010ma)

32. Bcp16381

33. Us9586965, Cpd 3

34. Mfcd29089376

35. S8741

36. Zinc142081723

37. Ac 0010

38. Cs-w008904

39. Db15327

40. Ac-35320

41. Ds-19269

42. Hy-19816

43. N-(3-{2-[3-fluoro-4-(4-methyl-piperazin-1-yl)-phenylamino]-7h-pyrrolo[2,3-d]pyrimidin-4-yloxy}-phenyl)-acrylamide

44. Cs-0016789

45. A16826

46. D11308

47. F17427

48. A927386

49. N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1- Yl)phenyl)amino)-7h-pyrrolo[2,3-d]- Pyrimidin-4-yl)oxy)phenyl)acrylamide

50. N-(3-(2-(3-fluoro-4-(4-methylpiperazin-1-yl)phenylamino)-7h-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl)acrylamide

51. N-[3-[[2-[[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-2-propenamide

2.4 Create Date
2014-02-18
3 Chemical and Physical Properties
Molecular Weight 487.5 g/mol
Molecular Formula C26H26FN7O2
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass487.21320126 g/mol
Monoisotopic Mass487.21320126 g/mol
Topological Polar Surface Area98.4 Ų
Heavy Atom Count36
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Protein Kinase Inhibitors

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)


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ABOUT THIS PAGE

Abivertinib Manufacturers

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

Abivertinib Suppliers

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

Abivertinib GMP

Abivertinib 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 Abivertinib 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 Abivertinib GMP manufacturer or Abivertinib GMP API supplier for your needs.

Abivertinib CoA

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

Abivertinib CoA mostly includes findings from lab analyses of a specific batch. For each Abivertinib 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.

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