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BMS-582949

p38 MAPK 抑制剂

规格或纯度: 97%

CAS编号: 623152-17-0
分子式: C₂₂H₂₆N₆O₂
分子量: 406.48
PubChem编号: 10409068

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货号 (SKU)	包装规格	是否现货	价格	数量
B413913-1mg	1mg	现货
B413913-5mg	5mg	现货
B413913-25mg	25mg	现货
B413913-50mg	50mg	现货
B413913-100mg	100mg	现货

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mitogen-activated protein kinase 14 Inhibitor

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基本描述

规格或纯度	97%
英文名称	BMS-582949
英文别名	BMS-582949\|623152-17-0\|BMS 582949\|BMS582949\|UNII-CR743OME9E\|CR743OME9E\|PS540446\|BMS582949 free base\|PS-540446\|4-((5-(cyclopropylcarbamoyl)-2-methylphenyl)amino)-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide\|CHEMBL1230065\|623152-17-0 (free b
生化机理	BMS-582949 (PS540446) is a potent and selective p38 mitogen-activated protein kinase (p38 MAPK) inhibitor with IC50 of 13nM,inhibiting both p38 kinase activity and activation of p38.
储存温度	-20°C储存
运输条件	超低温冰袋运输
产品介绍	Information BMS-582949 BMS-582949 (PS540446) is a potent and selective p38 mitogen-activated protein kinase (p38 MAPK) inhibitor with IC50 of 13nM,inhibiting both p38 kinase activity and activation of p38. Targets p38 MAPK (Cell-free assay) 13 nM In vitro BMS-582949 is found to inhibit p38 activation in cells, as measured by phosphorylation of p38. BMS-582949 treatment of cells in which p38 has been activated by LPS rapidly reversed p38 activation as shown by loss of phosphorylation of p38. BMS-582949 is therefore a dual action p38 kinase inhibitor, inhibiting both p38 kinase activity and p38 activation in cells. BMS-582949 binding to p38a results in a conformational change of the activation loop which is phosphorylated by upstream kinases, therefore it inhibits phosphorylation of p38 by upstream MKK by inducing a less accessible conformation of the activation loop. In vivo The mouse clearance rate for BMS-582949 is 4.4 mL/min/kg. And at an oral dose of 10 mg/kg, the mouse AUC0-8 h for BMS-582949 is 75.5 μM?h. BMS-582949 exhibited oral bioavailability values of 90% and 60% in mice and rats, respectively.

产品属性

ALogP	3.269
HBD Count	3
Rotatable Bond	7

名称和标识符

IUPAC Name	4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
INCHI	InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)
InChi Key	GDTQLZHHDRRBEB-UHFFFAOYSA-N
Canonical SMILES	CCCNC(=O)C1=CN2C(=C1C)C(=NC=N2)NC3=C(C=CC(=C3)C(=O)NC4CC4)C
PubChem CID	10409068
分子量	406.48

数据库链接

PubChem CID	10409068
ChEMBL Ligand	CHEMBL1230065
CAS Registry No.	623152-17-0
RCSB PDB Ligand	38P

化学和物理性质

溶解性	Solubility (25°C) In vitro DMSO: 81 mg/mL (199.27 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility	81
DMSO(mM) Max Solubility	199.2717969
Water(mg / mL) Max Solubility	＜1

安全和危险性（GHS）

象形图	Health Hazard
信号词	Danger
危险声明	H372: Causes damage to organs through prolonged or repeated exposure H361: Suspected of damaging fertility or the unborn child
预防措施声明	P280,P405,P501,P264,P260,P270,P203,P318,P319

关联配体

Ligand ID	7838
名称	BMS-582949
别名	BMS 582949
类别	Synthetic organic
学名	4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino]-5-methyl-N-propylpyrrolo[5,1-f][1,2,4]triazine-6-carboxamide
生物活性评价	The sulfonamide class of antibacterial compounds are primarily bacteriostatic agents and have a broad spectrum of activity against both Gram-positive and Gram-negative species of bacteria (reviewed in ).
评价	BMS-582949 is an inhibitor of p38 mitogen-activated protein kinase (MAPK). Its discovery is described in .

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参考文献

1. Liu C, Lin J, Wrobleski ST, Lin S, Hynes J, Wu H, Dyckman AJ, Li T, Wityak J, Gillooly KM et al.. (2010) Discovery of 4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methyl-N-propylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide (BMS-582949), a clinical p38α MAP kinase inhibitor for the treatment of inflammatory diseases.. J Med Chem, 53 (18): (6629-39). [PMID:20804198]

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