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Chemistry

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Also known as: Cm-4620, 1713240-67-5, Zegocractin, Cm4620, Zegocractin [inn], Chembl4753998
Molecular Formula
C19H11ClF3N3O3
Molecular Weight
421.8  g/mol
InChI Key
QQMKTHUGOQDEIL-UHFFFAOYSA-N
FDA UNII
564AW1RR37

Zegocractin
Zegocractin is a calcium (Ca2+) release-activated channel (CRAC) inhibitor, with potential anti-inflammatory and protective activities. Upon administration, zegocractin targets, binds to and inhibits the calcium release-activated calcium channel protein 1 (Orai1), which forms the pore of CRAC, and is expressed on both parenchymal cells and immune cells. This prevents the transport of extracellular Ca2+ into the cell and inhibits the subsequent activation of Ca2+-mediated signaling and transcription of target genes. This may prevent Ca2+ entry-mediated cell death. It may also inhibit the proliferation of immune cells and prevents the release of various inflammatory cytokines in immune cells, such as interleukin-2 (IL-2) and tumor necrosis factor-alpha (TNF-a). This may lead to a reduction of inflammatory responses in inflammatory-mediated diseases. CRACs, specialized plasma membrane Ca2+ ion channels composed of the plasma membrane based Orai channels and the endoplasmic reticulum (ER) stromal interaction molecules (STIMs), mediate store operated Ca2+ entry (SOCE) and play a key role in calcium homeostasis. CRACs are overactivated in a variety of cell types, especially certain immune cells during inflammation, including T-lymphocytes, neutrophils and macrophages.
1 2D Structure

Zegocractin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluoro-6-methylbenzamide
2.1.2 InChI
InChI=1S/C19H11ClF3N3O3/c1-9-3-2-4-12(21)17(9)18(27)26-16-8-24-13(7-25-16)10-5-14-15(6-11(10)20)29-19(22,23)28-14/h2-8H,1H3,(H,25,26,27)
2.1.3 InChI Key
QQMKTHUGOQDEIL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=CC=C1)F)C(=O)NC2=NC=C(N=C2)C3=CC4=C(C=C3Cl)OC(O4)(F)F
2.2 Other Identifiers
2.2.1 UNII
564AW1RR37
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Auxora

2. Cm 4620

3. Cm-128

4. Cm-4620

5. Cm128

6. Cm4620

7. N-(5-(6-chloro-2,2-difluorobenzo(d)(1,3)dioxol-5-yl)pyrazin-2-yl)-2-fluoro-6-methylbenzamide

8. Zegocractin

2.3.2 Depositor-Supplied Synonyms

1. Cm-4620

2. 1713240-67-5

3. Zegocractin

4. Cm4620

5. Zegocractin [inn]

6. Chembl4753998

7. 564aw1rr37

8. N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluoro-6-methylbenzamide

9. Benzamide, N-(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrazinyl)-2-fluoro-6-methyl-

10. N-(5-(6-chloro-2,2-difluorobenzo(d)(1,3)dioxol-5-yl)pyrazin-2-yl)-2-fluoro-6-methylbenzamide

11. Cm 4620

12. Unii-564aw1rr37

13. Schembl18038390

14. Gtpl10087

15. Cm-4620 [who-dd]

16. Cm 4620 Pound>>cm4620

17. Dtxsid901337267

18. Bcp29536

19. Ex-a1898

20. Bdbm50575336

21. S6834

22. Compound I [wo2016138472a1]

23. Sb18686

24. Ac-35758

25. Bs-15636

26. Hy-101942

27. Cs-0022201

28. C73294

29. N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrazinyl]-2-fluoro-6-methylbenzamide

2.4 Create Date
2016-12-08
3 Chemical and Physical Properties
Molecular Weight 421.8 g/mol
Molecular Formula C19H11ClF3N3O3
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass421.0441034 g/mol
Monoisotopic Mass421.0441034 g/mol
Topological Polar Surface Area73.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity617
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

Zegocractin Manufacturers

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

Zegocractin Suppliers

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

Zegocractin GMP

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

Zegocractin CoA

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

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

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