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Chemistry

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Also known as: Sx-682, 1648843-04-2, Unii-h5212r2dpm, H5212r2dpm, (2-(((5-((4-fluorophenyl)carbamoyl)pyrimidin-2-yl)thio)methyl)-4-(trifluoromethoxy)phenyl)boronic acid, [2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid
Molecular Formula
C19H14BF4N3O4S
Molecular Weight
467.2  g/mol
InChI Key
SDUDZBCEHIZMFZ-UHFFFAOYSA-N
FDA UNII
H5212R2DPM

SX-682
CXCR1/2 Inhibitor SX-682 is an orally bioavailable, selective and reversible antagonist of C-X-C motif chemokine receptors 1 (CXCR1) and 2 (CXCR2), with potential anti-inflammatory and antineoplastic activities. Upon administration CXCR1/2 inhibitor SX-682 selectively and allosterically binds to CXCR 1 and 2 and inhibits their activation by tumor-secreted chemokines. This inhibits CXCR1/2-mediated signaling, reduces both recruitment and migration of immunosuppressive myeloid-derived suppressor cells (MDSCs) and neutrophils in the tumor microenvironment (TME), inhibits inflammatory processes and abrogates the immunosuppressive-induced nature of the TME. This allows effector cells, such as natural killer (NK) cells and cytotoxic T-lymphocytes (CTLs), to kill and eliminate cancer cells. This inhibits tumor cell migration, metastasis, angiogenesis and tumor cell proliferation. CXCR1 and 2, G protein-coupled receptor proteins located on myeloid cells and certain tumor cells, play key roles in the immunosuppressive nature of the TME, tumor metastasis, therapy-resistance and myeloid cell suppression. They play a key role in inflammation and their expression is elevated in several inflammatory-driven diseases.
1 2D Structure

SX-682

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid
2.1.2 InChI
InChI=1S/C19H14BF4N3O4S/c21-13-1-3-14(4-2-13)27-17(28)12-8-25-18(26-9-12)32-10-11-7-15(31-19(22,23)24)5-6-16(11)20(29)30/h1-9,29-30H,10H2,(H,27,28)
2.1.3 InChI Key
SDUDZBCEHIZMFZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B(C1=C(C=C(C=C1)OC(F)(F)F)CSC2=NC=C(C=N2)C(=O)NC3=CC=C(C=C3)F)(O)O
2.2 Other Identifiers
2.2.1 UNII
H5212R2DPM
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (2-((5-((4-fluorophenyl)carbamoyl)pyrimidin-2-yl)sulfanylmethyl)-4-(trifluoromethoxy)phenyl)boronic Acid

2. Incb057643

2.3.2 Depositor-Supplied Synonyms

1. Sx-682

2. 1648843-04-2

3. Unii-h5212r2dpm

4. H5212r2dpm

5. (2-(((5-((4-fluorophenyl)carbamoyl)pyrimidin-2-yl)thio)methyl)-4-(trifluoromethoxy)phenyl)boronic Acid

6. [2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic Acid

7. (2-(((5-((4-fluorophenyl)carbamoyl)pyrimidin-2-yl)thio)methyl)-4-(trifluoromethoxy)phenyl)boronicacid

8. B-(2-(((5-(((4-fluorophenyl)amino)carbonyl)-2-pyrimidinyl)thio)methyl)-4-(trifluoromethoxy)phenyl)boronic Acid

9. Boronic Acid, B-(2-(((5-(((4-fluorophenyl)amino)carbonyl)-2-pyrimidinyl)thio)methyl)-4-(trifluoromethoxy)phenyl)-

10. Chembl4297480

11. Gtpl10165

12. Sx682

13. Bcp32154

14. Ex-a4295

15. Mfcd28502254

16. S8947

17. Sx 682; Sx682

18. Sb17394

19. Ac-36549

20. Hy-119339

21. Cs-0067128

22. D81536

2.4 Create Date
2015-02-16
3 Chemical and Physical Properties
Molecular Weight 467.2 g/mol
Molecular Formula C19H14BF4N3O4S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass467.0734199 g/mol
Monoisotopic Mass467.0734199 g/mol
Topological Polar Surface Area130 Ų
Heavy Atom Count32
Formal Charge0
Complexity606
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

Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)


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ABOUT THIS PAGE

SX-682 Manufacturers

A SX-682 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of SX-682, including repackagers and relabelers. The FDA regulates SX-682 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. SX-682 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

SX-682 Suppliers

A SX-682 supplier is an individual or a company that provides SX-682 active pharmaceutical ingredient (API) or SX-682 finished formulations upon request. The SX-682 suppliers may include SX-682 API manufacturers, exporters, distributors and traders.

SX-682 GMP

SX-682 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 SX-682 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 SX-682 GMP manufacturer or SX-682 GMP API supplier for your needs.

SX-682 CoA

A SX-682 CoA (Certificate of Analysis) is a formal document that attests to SX-682's compliance with SX-682 specifications and serves as a tool for batch-level quality control.

SX-682 CoA mostly includes findings from lab analyses of a specific batch. For each SX-682 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.

SX-682 may be tested according to a variety of international standards, such as European Pharmacopoeia (SX-682 EP), SX-682 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (SX-682 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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