ChemicalBook CAS DataBase List [2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid

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

Product Name[2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid
CAS1648843-04-2
CBNumberCB24840361
MFC19H14BF4N3O4S
MW467.2
EINECS604-604-1
MDL NumberMFCD28502254
MOL File1648843-04-2.mol
MSDS FileSDS

Chemical Properties

Density	1.53±0.1 g/cm3(Predicted)
storage temp.	-20°C
solubility	Soluble in DMSO (>25 mg/ml)
pka	8.18±0.53(Predicted)
form	solid
color	Off-white
Stability	Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
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)
InChIKey	SDUDZBCEHIZMFZ-UHFFFAOYSA-N
SMILES	B(C1=CC=C(OC(F)(F)F)C=C1CSC1=NC=C(C(NC2=CC=C(F)C=C2)=O)C=N1)(O)O
FDA UNII	H5212R2DPM

[2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid Price

Product number	Packaging	Price	Product description	Buy
Biosynth YQC84304	10mg	$821	SX-682	Buy
Biosynth YQC84304	25mg	$1313.75	SX-682	Buy
Biosynth YQC84304	50mg	$1785	SX-682	Buy
Biosynth YQC84304	100mg	$2570	SX-682	Buy
ChemScene CS-0067128	5mg	$108	SX-682 99.67%	Buy

[2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid Chemical Properties,Usage,Production

Description

SX-682 is a novel CXCR1/2 inhibitor (IC50s: CXCR1 = 42 nM, CXCR2 = 20 nM).1It displayed robust synergistic activity with immune checkpoint blockade against castration resistant prostate cancer.2 It significantly reduced tumor burden in a Ptenfl/fl/Lkb1fl/fl mouse model of lung squamous cell cancer when used in combination with anti-PD1 therapy.3 SX-682 significantly inhibited trafficking of neutrophilic myeloid-derived suppressor cells (PMN-MDSCs) enhancing anti-PD1 immune checkpoint blockade, T cell-based immunotherapy, and NK-cell immunotherapy.4,5

Uses

SX-682 is an orally bioavailable, potent allosteric inhibitor of CXCR1 and CXCR2. SX-682 can block tumor myeloid-derived suppressor cells (MDSCs) recruitment and enhance T cell activation and antitumor immunity[1].

in vivo

SX-682 (50 mg/kg; orally; twice a day on a Monday through Friday) has Meager to moderate effects as single agents on CRPC progression was observed, yet combination with ICB produced strong efficacy^[2].

Animal Model:	C57BL/6NTac-Tyr^tm1Artefemale mice^[2]
Dosage:	50 mg/kg
Administration:	Orally; twice a day on a Monday through Friday
Result:	Has Meager to moderate effects on CRPC progression.

IC 50

CXCR1; CXCR2

References

[1] C. BOSS C R. Substituted cyclopentanes, tetrahydrofurans and pyrrolidines as orexin-1-receptor antagonists for treatment of various CNS disorders (WO2015/055994; WO2015/124932; WO2015/124934)[J]. Expert Opinion on Therapeutic Patents, 2016, 26 1: 409-415. DOI:10.1517/13543776.2016.1124087
[2] XIN LU. Effective combinatorial immunotherapy for castration-resistant prostate cancer[J]. Nature, 2017, 543 7647: 728-732. DOI:10.1038/nature21676
[3] JULIA KARGL. Neutrophil content predicts lymphocyte depletion and anti-PD1 treatment failure in NSCLC.[J]. JCI insight, 2019. DOI:10.1172/jci.insight.130850
[4] LILLIAN SUN. Inhibiting myeloid-derived suppressor cell trafficking enhances T cell immunotherapy.[J]. JCI insight, 2019, 4 7. DOI:10.1172/jci.insight.126853
[5] SARAH GREENE. Inhibition of MDSC Trafficking with SX-682, a CXCR1/2 Inhibitor, Enhances NK-Cell Immunotherapy in Head and Neck Cancer Models.[J]. Clinical Cancer Research, 2020: 1420-1431. DOI:10.1158/1078-0432.ccr-19-2625

Preparation Products And Raw materials

[2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Changzhou Chenhong Biotechnology Co., Ltd.	+86-0519-85788828 +86-13775037613	sales@chemrenpharm.com	China	4081	58
Shanghai SuperLan Chemcial Technique Centre	0-2022843681 15618226720	chaolaichem@foxmail.com	China	9996	58
WUHAN SUN-SHINE BIO-TECHNOLOGY Co., Ltd.	17702719238	sales@sun-shinechem.com	China	1205	64
Shanghai Lollane Biological Technology Co.,Ltd.	021-52996696，15000506266 15000506266		China	4865	55
Shanghai YuanYe Biotechnology Co., Ltd.	18916372613	yanzihan@shyuanye.com	China	87240	60
ShangHai Biochempartner Co.,Ltd	177-54423994 17754423994	2853530910@QQ.com	China	8000	62
Shanghai Rechem science Co., Ltd.	021-31433387 15618786686	sales@rechemscience.com	China	2961	58
Beijing Solarbio Science & Tecnology Co., Ltd.	17801761073 18101056239	3193328036@qq.com	China	28149	68
Chuzhou KeMail Chemical Technology Co., Ltd	0550-5196001 15000891977	wj520wjxby@126.com	China	1946	55
Fan De(Beijing) Biotechnology Co., Ltd.	15911056312	liming@bio-fount.com	China	9718	58

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[2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid Spectrum

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