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Chemistry

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Also known as: 1028486-01-2, Mln8237, Mln-8237, Mln 8237, Mln8237 (alisertib), 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5h-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid
Molecular Formula
C27H20ClFN4O4
Molecular Weight
518.9  g/mol
InChI Key
ZLHFILGSQDJULK-UHFFFAOYSA-N
FDA UNII
T66ES73M18

Alisertib
Alisertib is a second-generation, orally bioavailable, highly selective small molecule inhibitor of the serine/threonine protein kinase Aurora A kinase with potential antineoplastic activity. Alisertib binds to and inhibits Aurora A kinase, which may result in disruption of the assembly of the mitotic spindle apparatus, disruption of chromosome segregation, and inhibition of cell proliferation. Aurora A kinase localizes to the spindle poles and to spindle microtubules during mitosis, and is thought to regulate spindle assembly. Aberrant expression of Aurora kinases occurs in a wide variety of cancers, including colon and breast cancers.
1 2D Structure

Alisertib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid
2.1.2 InChI
InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
2.1.3 InChI Key
ZLHFILGSQDJULK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC
2.2 Other Identifiers
2.2.1 UNII
T66ES73M18
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Mln 8237

2. Mln-8237

3. Mln8237

2.3.2 Depositor-Supplied Synonyms

1. 1028486-01-2

2. Mln8237

3. Mln-8237

4. Mln 8237

5. Mln8237 (alisertib)

6. 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5h-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic Acid

7. Alisertib [usan]

8. 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic Acid

9. Chembl483158

10. T66es73m18

11. Alisertib (usan)

12. 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5h-benzo[c]pyrimido-[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic Acid

13. 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic Acid

14. Benzoic Acid, 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5h-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)-2-methoxy-

15. Alisertib [usan:inn]

16. Unii-t66es73m18

17. Mln8237,alisertib

18. Kinome_3770

19. Alisertib [inn]

20. Alisertib; Mln8237

21. Alisertib (mln8237)

22. Mln8237 - Alisertib

23. Alisertib [who-dd]

24. Mls006011041

25. Schembl855823

26. Gtpl7790

27. Dtxsid30145539

28. Ex-a024

29. Min8237

30. Chebi:125628

31. Hms3654e08

32. Hms3673i07

33. Hms3743e17

34. Amy24201

35. Bcp01823

36. Bdbm50277545

37. Mfcd16621243

38. Nsc759677

39. Nsc799329

40. S1133

41. Zinc40939534

42. Akos015924647

43. Bcp9000956

44. Ccg-264832

45. Cs-0106

46. Db05220

47. Mln 8237 (contain 10% Dmso)

48. Nsc-759677

49. Nsc-799329

50. Sb16658

51. Ncgc00263271-01

52. Ncgc00263271-02

53. Ncgc00263271-10

54. 4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5h-benzo[c]pyrimido[4,5-e]azepin-2-ylamino)-2-methoxybenzoic Acid

55. Ac-25236

56. As-17005

57. Hy-10971

58. Smr004702834

59. Ft-0672433

60. Sw219771-1

61. D10085

62. J-514220

63. Brd-k75295174-001-03-5

64. Q15633917

65. 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5h-benzo[c]pyrimido-[4,5-e]azepin-2-yl)amino)-2-methoxy Mln 8237 (contain 10% Dmso)

66. 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5h-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)-2-methoxy-benzoic Acid

67. 4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5h-benzo[e]pyrimido[5,4-c]azepin-2-ylamino)-2-methoxybenzoic Acid

68. 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl) -5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic Acid

69. A5b

2.4 Create Date
2008-05-05
3 Chemical and Physical Properties
Molecular Weight 518.9 g/mol
Molecular Formula C27H20ClFN4O4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass518.1157110 g/mol
Monoisotopic Mass518.1157110 g/mol
Topological Polar Surface Area106 Ų
Heavy Atom Count37
Formal Charge0
Complexity836
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

For the treatment of various forms of cancer.


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ABOUT THIS PAGE

Alisertib Manufacturers

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

Alisertib Suppliers

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

Alisertib GMP

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

Alisertib CoA

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

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

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