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Chemistry

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Also known as: 1334298-90-6, Incb039110, Incb-039110, 2-(3-(4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl)-1-(1-(3-fluoro-2-(trifluoromethyl)isonicotinoyl)piperidin-4-yl)azetidin-3-yl)acetonitrile, Incb39110, 19j3781lpm
Molecular Formula
C26H23F4N9O
Molecular Weight
553.5  g/mol
InChI Key
KTBSXLIQKWEBRB-UHFFFAOYSA-N
FDA UNII
19J3781LPM

Itacitinib
Itacitinib is an orally bioavailable inhibitor of Janus-associated kinase 1 (JAK1) with potential antineoplastic and immunomodulating activities. Upon oral administration, itacitinib selectively inhibits JAK-1, thereby inhibiting the phosphorylation of signal transducer and activator of transcription (STAT) proteins and the production of proinflammatory factors induced by other cytokines, including interleukin-23 (IL-23) and interleukin-6 (IL-6). The JAK-STAT pathway plays a key role in the signaling of many cytokines and growth factors and is involved in cellular proliferation, growth, hematopoiesis, and the immune response; JAK kinases may be upregulated in inflammatory diseases, myeloproliferative disorders, and various malignancies.
1 2D Structure

Itacitinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
2.1.2 InChI
InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)
2.1.3 InChI Key
KTBSXLIQKWEBRB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCC1N2CC(C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)C(=O)C6=C(C(=NC=C6)C(F)(F)F)F
2.2 Other Identifiers
2.2.1 UNII
19J3781LPM
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (1-(1-(3-fluoro-2-(trifluoromethyl)isonicotinoyl)-4-piperidinyl)-3-(4-(1h-pyrrolo(2,3-d)pyrimidin-4-yl)-1h-pyrazol-1-yl)-3-azetidinyl)acetonitrile

2.3.2 Depositor-Supplied Synonyms

1. 1334298-90-6

2. Incb039110

3. Incb-039110

4. 2-(3-(4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl)-1-(1-(3-fluoro-2-(trifluoromethyl)isonicotinoyl)piperidin-4-yl)azetidin-3-yl)acetonitrile

5. Incb39110

6. 19j3781lpm

7. 2-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile

8. 3-azetidineacetonitrile, 1-(1-((3-fluoro-2-(trifluoromethyl)-4-pyridinyl)carbonyl)-4-piperidinyl)-3-(4-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)-1h-pyrazol-1-yl)-

9. 1-[1-[[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]carbonyl]-4-piperidinyl]-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]-3-azetidineacetonitrile

10. Itacitinib [usan]

11. Unii-19j3781lpm

12. 2-(3-(4-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)-1h-pyrazol-1-yl)-1-(1-(3-fluoro-2-(trifluoromethyl)isonicotinoyl)piperidin-4-yl)azetidin-3-yl)acetonitrile

13. Examlpe 294 [wo2011112662]

14. Itacitinib [inn]

15. Itacitinib (usan/inn)

16. Itacitinib [usan:inn]

17. Itacitinib [who-dd]

18. Itacitinib (incb39110)

19. Itacitinib(incb039110)

20. Itacitinib; Incb039110

21. Gtpl8364

22. Schembl2396080

23. Chembl3622820

24. C26h23f4n9o

25. Amy1814

26. Bdbm246868

27. Incb 39110

28. Incb-39110

29. Bcp13794

30. Ex-a1674

31. Nsc792849

32. Nsc796224

33. Nsc801001

34. S7812

35. Zinc118795962

36. At16231

37. Ccg-270017

38. Cs-5593

39. Db12154

40. Nsc-792849

41. Nsc-796224

42. Nsc-801001

43. Sb13363

44. {1-{1-[3-fluoro-2-(trifluoromethyl)isonicotinoyl]piperidin-4-yl}-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile

45. 1651228-00-0

46. 2-(1-{1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl}-3-(4-{7h-pyrrolo[2,3-d]pyrimidin-4-yl}-1h-pyrazol-1-yl)azetidin-3-yl)acetonitrile

47. Ac-29031

48. As-75259

49. Hy-16997

50. A14390

51. D10944

52. Us10053465, 7

53. A902364

54. Q27891174

55. Incb039110;incb-039110;incb 039110

56. Incb39110;incb-39110;incb 39110; Incb039110; Incb-039110; Incb 039110

57. (1-(1-(3-fluoro-2-(trifluoromethyl)pyridine- 4-carbonyl)piperidin-4-yl)-3-(4-(7h-pyrrolo(2,3-d)pyrimidin- 4-yl)-1h-pyrazol-1-yl)azetidin-3-yl)acetonitrile

58. {1-{1-[3-fluoro-2- (trifluoromethyl) Isonicotinoyl] Piperidin-4- Yl}-3-[4-(7h- Pyrrolo[2,3- D]pyrimidin-4-yl)- 1h-pyrazol-1- Yl]azetidin-3- Yl}acetonitrile

59. 1-[1-[[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]carbonyl]-4-piperidinyl]-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]-3-azetidineacetonitrile;itacitinib

60. 2-(3-(4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl)-1-(1-(3-fluoro-2-(trifluoromethyl)-isonicotinoyl)piperidin-4-yl)azetidin-3-yl)acetonitrile

2.4 Create Date
2011-10-11
3 Chemical and Physical Properties
Molecular Weight 553.5 g/mol
Molecular Formula C26H23F4N9O
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass553.19616904 g/mol
Monoisotopic Mass553.19616904 g/mol
Topological Polar Surface Area120 Ų
Heavy Atom Count40
Formal Charge0
Complexity977
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

Treatment of acute graft versus host disease


5 Pharmacology and Biochemistry
5.1 ATC Code

L - Antineoplastic and immunomodulating agents

L04 - Immunosuppressants

L04A - Immunosuppressants

L04AA - Selective immunosuppressants

L04AA46 - Itacitinib


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ABOUT THIS PAGE

Itacitinib Manufacturers

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

Itacitinib Suppliers

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

Itacitinib GMP

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

Itacitinib CoA

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

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

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