BEC HCl

精氨酸酶抑制剂

≥98%

CAS编号: 222638-67-7
分子式: C₅H₁₂BNO₄S.HCl
分子量: 229.49
PubChem编号: 91826515
PubChem SID: 504772680

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货号 (SKU)	包装规格	是否现货
B413875-5mg	5mg	现货
B413875-25mg	25mg	期货
B413875-100mg	100mg	现货

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Arginase (10) Immunology/Inflammation (1941) Metabolic Enzyme/Protease (4888)

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基本描述

英文别名	BCP25043 \| BEC HCl \| CS-5831 \| (2R)-2-amino-3-(2-boronoethylsulfanyl)propanoic acid hydrochloride \| BEC hydrochloride \| A900880 \| XIA63867 \| AC-29891 \| AKOS030632996 \| (2R)-2-amino-3-(2-boronoethylsulfanyl)propanoic acid;hydrochloride \| S-(2-Boronoethyl)-
规格或纯度	≥98%
英文名称	BEC HCl
生化机理	盐酸溴乙酰胆碱是一种缓慢结合的竞争性精氨酸酶抑制剂，对精氨酸酶 II 和大鼠精氨酸酶 I 的_Ki值分别为 0.31 μM （pH7.5）和 0.4-0.6 μM。
储存温度	-20°C储存,充氩
运输条件	超低温冰袋运输
产品介绍	Information BEC HCl BEC HCl is a slow-binding, and competitive arginase inhibitor with K i of 0.31 μM (pH7.5) and 0.4-0.6 μM for Arginase II and rat Arginase I, respectively. Targets Arginase II ; rat Arginase I 0.31 μM(Ki); <0.6 μM(Ki) In vitro BEC causes significant enhancement of NO-dependent smooth muscle relaxation. In myocytes, BEC augments Ca(2+)-dependent NOS activity and NO production, and increases basal contractility. BEC also inhibits the proliferation of human pulmonary artery smooth muscle cells by decreasing the expression levels of cyclin D1 and CDK4, increasing the expression of p27, and partly reducing the phosphorylation of Akt and ERK. In vivo In mice with allergic inflammation (OVA/OVA), BEC enhances peribronchiolar and perivascular inflammation, leads to enhanced NF-κB DNA binding and NF-κB-dependent inflammatory gene expression, and causes an increase in the content of NOx. In rats with pulmonary arterial hypertension, BEC reduces the right ventricle systolic pressure.

AI解读

产品属性

ALogP	-2.415
Rotatable Bond	6

名称和识别符

PubChem SID	504772680
IUPAC Name	(2R)-2-amino-3-(2-boronoethylsulfanyl)propanoic acid;hydrochloride
INCHI	InChI=1S/C5H12BNO4S.ClH/c7-4(5(8)9)3-12-2-1-6(10)11;/h4,10-11H,1-3,7H2,(H,8,9);1H/t4-;/m0./s1
InChi Key	GHPYJLCQYMAXGG-WCCKRBBISA-N
Canonical SMILES	B(CCSCC(C(=O)O)N)(O)O.Cl
Isomeric SMILES	B(CCSC[C@@H](C(=O)O)N)(O)O.Cl
PubChem CID	91826515
分子量	229.49

化学和物理性质

溶解性	Solubility (25°C) In vitro DMSO: 45 mg/mL (196.08 mM); Water: 45 mg/mL (196.08 mM); Ethanol: 45 mg/mL (196.08 mM);
DMSO(mg / mL) Max Solubility	45
DMSO(mM) Max Solubility	196.0869755
Water(mg / mL) Max Solubility	45
Water(mM) Max Solubility	196.0869755
分子量	229.490 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count	5
氢键受体数Hydrogen Bond Acceptor Count	6
可旋转键计数Rotatable Bond Count	6
精确质量Exact Mass	229.035 Da
单同位素质量Monoisotopic Mass	229.035 Da
拓扑极表面积Topological Polar Surface Area	129.000 Å²
重原子数Heavy Atom Count	13
形式电荷Formal Charge	0
复杂度Complexity	145.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	1
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	2