GW311616

COA

级别和纯度:

≥99%

CAS编号: 198062-54-3
分子式: C₁₉H₃₁N₃O₄S
分子量: 397.53
PubChem编号: 9800961

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货号 (SKU)	包装规格	是否现货
G647148-2mg	2mg	期货
G647148-5mg	5mg	期货
G647148-10mg	10mg	期货

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Amino Acid/Protein Metabolism (4559) Elastase (31) Metabolic Enzyme/Protease (4889)

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基本描述

英文别名	GW 311616 \| L8012V52PN \| MS-26715 \| PYRROLO(3,2-B)PYRROL-2(1H)-ONE, HEXAHYDRO-3-(1-METHYLETHYL)-1-(METHYLSULFONYL)-4-(1-OXO-4-(1-PIPERIDINYL)-2-BUTENYL)-, (3S-(3.ALPHA.,3A.ALPHA.,4(E),6A.BETA.))- \| (3aR,6S,6aS)-4-methylsulfonyl-1-[(E)-4-piperidin-1-ylbut-
规格或纯度	≥99%
英文名称	GW311616
生化机理	GW-311616 是一种强效、口服生物利用度高、持续时间长且具有选择性的人中性粒细胞弹性蛋白酶（HNE）抑制剂，其 IC 50 值为 22 nM，K i 值为 0.31 nM。
储存温度	-20°C储存
运输条件	超低温冰袋运输
产品介绍	GW-311616 is a potent, orally bioavailable, long duration and selective human neutrophil elastase ( HNE ) inhibitor with IC 50 value of 22 nM and K i value of 0.31 nM In Vitro GW-311616 (150 μM; 48 hours) markedly suppresses NE activity in U937 and K562 cells lines. GW-311616 (20-320 μM; 48 hours; U937 cells) treatment inhibits proliferation and induces apoptosis in leukemia cells. GW-311616 (150 μM; U937 cells) treatment can increase the protein expression levels of Bax and decrease the expression of Bcl-2. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: U937 and K562 cells Concentration: 150 μM Incubation Time: 48 hours Result: Markedly suppressed NE activity. Apoptosis AnalysisCell Line: U937 cells Concentration: 20 μM, 40 μM, 80 μM, 160 μM, 320 μM Incubation Time: 48 hours Result: The rate of apoptosis was enhanced. Western Blot AnalysisCell Line: U937 cells Concentration: 150 μM Incubation Time: 48 hours Result: Increased the protein expression levels of Bax and decreased the expression of Bcl-2. In Vivo GW-311616 (2 mg/kg; oral administration) rapidly abolishes the circulation of neutrophil elastase (NE) in dogs, while >90% inhibition is maintained for 4 days. This prolonged effect is independent to be due to penetration of neutrophils in bone marrow by orally administrated GW-311616. GW-311616 has moderate terminal elimination half-life (t 1/2 ) of 1.1 hours and 1.5 hours for dog (2 mg/kg, oral), rat (2 mg/kg, oral), respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Dogs (9-month-old)Dosage: 0.22 mg/kg, 0.66 mg/kg and 2 mg/kg (Pharmacokinetic study) Administration: Oral administration Result: At 0.22 mg/kg, greater than 50% inhibition of elastase was achieved 6 hours after dosing, with activity returning towards control values. Single oral dose of 2 mg/kg rapidly abolished circulating enzyme activity, and greater than 90% inhibition was maintained for 4 days. Form:Solid IC50& Target:IC50: 22 nM (HNE), Ki: 0.31 nM (HNE)
纯度	≥99%

关联靶点（其它种属）

Hdac6 Histone deacetylase 6 (222 活性数据)

点击查看靶蛋白信息： Hdac6

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 活性数据)

点击查看靶蛋白信息： rep

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

分子类型	小分子
IIUPAC Name	(3aR,6S,6aS)-4-methylsulfonyl-1-[(E)-4-piperidin-1-ylbut-2-enoyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
INCHI	1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1
InChi Key	NDNKNUMSTIMSHQ-URZKGLGPSA-N
Smiles	CC(C)C1C2C(CCN2C(=O)C=CCN3CCCCC3)N(C1=O)S(=O)(=O)C
Isomeric SMILES	CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)/C=C/CN3CCCCC3)N(C1=O)S(=O)(=O)C
关联CAS	198062-54-3
PubChem CID	9800961
MeSH Entry Terms	GW 311616;GW311616;GW311616A
分子量	397.53

化学和物理性质

溶解性	DMSO : 66.67 mg/mL (167.71 mM; Need ultrasonic)
分子量	397.500 g/mol
XLogP3	1.300
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	5
可旋转键计数Rotatable Bond Count	5
精确质量Exact Mass	397.204 Da
单同位素质量Monoisotopic Mass	397.204 Da
拓扑极表面积Topological Polar Surface Area	86.400 Å²
重原子数Heavy Atom Count	27
形式电荷Formal Charge	0
复杂度Complexity	707.000
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	3
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	1
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	1
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

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