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Chemistry

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Also known as: 1034616-18-6, Nms-1286937, Nms-p937, Onvansertib free base, Onvansertib [usan], Nms-p937 (nms1286937)
Molecular Formula
C24H27F3N8O3
Molecular Weight
532.5  g/mol
InChI Key
QHLVBNKYJGBCQJ-UHFFFAOYSA-N
FDA UNII
67RM91WDHQ

Onvansertib
Onvansertib is an orally bioavailable, adenosine triphosphate (ATP) competitive inhibitor of polo-like kinase 1 (PLK1; PLK-1; STPK13), with potential antineoplastic activity. Upon administration, onvansertib selectively binds to and inhibits PLK1, which disrupts mitosis and induces selective G2/M cell-cycle arrest followed by apoptosis in PLK1-overexpressing tumor cells. PLK1, named after the polo gene of Drosophila melanogaster, is a serine/threonine kinase that is crucial for the regulation of mitosis, and plays a key role in tumor cell proliferation. PLK1 expression is upregulated in a variety of tumor cell types and high expression is associated with increased aggressiveness and poor prognosis.
1 2D Structure

Onvansertib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
2.1.2 InChI
InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)
2.1.3 InChI Key
QHLVBNKYJGBCQJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)OC(F)(F)F)NC3=NC=C4CCC5=C(C4=N3)N(N=C5C(=O)N)CCO
2.2 Other Identifiers
2.2.1 UNII
67RM91WDHQ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino)-4,5-dihydropyrazolo(4,3-h)quinazoline-3-carboxamide

2.3.2 Depositor-Supplied Synonyms

1. 1034616-18-6

2. Nms-1286937

3. Nms-p937

4. Onvansertib Free Base

5. Onvansertib [usan]

6. Nms-p937 (nms1286937)

7. Pcm-075

8. Nms1286937

9. 67rm91wdhq

10. Chembl1738758

11. Onvansertib (usan)

12. 1-(2-hydroxyethyl)-8-((5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl)amino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide

13. 1-(2-hydroxyethyl)-8-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino]-4,5-dihydropyrimido[5,4-g]indazole-3-carboxamide

14. 1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide

15. Nms 1286937

16. 1h-pyrazolo(4,3-h)quinazoline-3-carboxamide, 4,5-dihydro-1-(2-hydroxyethyl)-8-((5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl)amino)-

17. 1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino)-4,5-dihydropyrazolo(4,3-h)quinazoline-3-carboxamide

18. 1h-pyrazolo[4,3-h]quinazoline-3-carboxamide, 4,5-dihydro-1-(2-hydroxyethyl)-8-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-;1h-pyrazolo[4,3-h]quinazoline-3-carboxamide, 4,5-dihydro-1-(2-hydroxyethyl)-8-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-

19. Unii-67rm91wdhq

20. 1-(2-hydroxyethyl)-8-((5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl)amino)-4,5-dihydro-1h-pyrazolo(4,3-h)quinazoline-3-carboxamide

21. Onvansertib [inn]

22. Onvansertib [who-dd]

23. Gtpl7918

24. Nms P937

25. Schembl1228019

26. Dtxsid701025917

27. Hms3653g04

28. Hms3673e21

29. Bcp28066

30. Ex-a1590

31. Bdbm50343559

32. Nsc781344

33. Nsc800806

34. S7255

35. Who 11172

36. Zinc43196885

37. Ccg-269924

38. Cs-3146

39. Db15110

40. Nsc-781344

41. Nsc-800806

42. Sb16941

43. Ncgc00386361-03

44. Ac-36303

45. Hy-15828

46. Nms-1286937,nms-p937

47. B4094

48. Sw219402-1

49. A13045

50. D11458

51. A896452

52. Polo-like Kinase 1 Inhibitor Nms-1286937

53. Q27087959

54. 1-(2-hydroxy-ethyl)-8-[5-(4-methyl-piperazin-1-yl)-2-trifluoromethoxy-phenylamino]-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide

55. 1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide

56. 1-(2-hydroxyethyl)-8-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}-1h,4h,5h-pyrazolo[4,3-h]quinazoline-3-carboxamide

2.4 Create Date
2010-12-20
3 Chemical and Physical Properties
Molecular Weight 532.5 g/mol
Molecular Formula C24H27F3N8O3
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass532.21582124 g/mol
Monoisotopic Mass532.21582124 g/mol
Topological Polar Surface Area135 Ų
Heavy Atom Count38
Formal Charge0
Complexity817
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

Onvansertib Manufacturers

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

Onvansertib Suppliers

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

Onvansertib GMP

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

Onvansertib CoA

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

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

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