| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B421003-1ml |
1ml |
现货  |
|
| 英文别名 | 9H-Carbazole-1-carboxamide,7-(1-hydroxy-1-methylethyl)-4-[2-methyl-3-(4-oxo-3(4H)-quinazolinyl)phenyl]- |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | BMS-935177 |
| 生化机理 | BMS-935177 是一种强效、可逆的布鲁顿酪氨酸激酶 (BTK) 抑制剂，IC50 值为 2.8 nM，具有良好的激酶选择性。它对 BTK 的抑制作用强于其他激酶，包括其他 Tec 家族激酶（TEC、BMX、ITK 和 TXK），该化合物对这些激酶的选择性在 5 到 67 倍之间。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 产品介绍 |
Information BMS-935177 is a potent, reversibleBruton's Tyrosine Kinase (BTK)inhibitor with an IC50 value of 2.8 nM and demonstrates good kinase selectivity. It is more potent against BTK than other kinase, including the other Tec family kinases (TEC, BMX, ITK, and TXK) over which the compound is between 5- and 67-fold selective. Targets BTK (Cell-free assay); TEC (Cell-free assay); BLK (Cell-free assay); BMX (Cell-free assay); TrkA (Cell-free assay) 29234,2.8 nM; 13 nM; 20 nM; 24 nM; 30 nM In vitro BMS-935177 shows greater than 50-fold selectivity over the SRC family of kinases, including 1100-fold selectivity over SRC itself. Other kinases inhibited with a potency less than 150 nM (50-fold selectivity) included TRKA, HER4, TRKB, and RET. It inhibits calcium flux in human Ramos B cells (IC50 = 27 nM) and inhibits CD69 surface expression in peripheral B cells stimulated with anti-IgM and anti-IgG. However, BMS-935177 has no effect on CD69 surface expression in B cells stimulated through the CD40 receptor with CD40 ligand. Against IgG-containing immune complex-driven low affinity activating Fcγ receptor (FcγRIIa and FcγRIII) end points in peripheral blood mononuclear cells (PBMCs), BMS-935177 effectively inhibited TNFα production with an IC50 value of 14 nM. In vivo Plasma protein binding for BMS-935177 is high for all species, with less than 1% free for human. It has excellent oral bioavailability in all preclinical species, from both suspension and solution dosing, despite its low aqueous solubility. The oral bioavailability for BMS-935177 with solution dosing ranges from 84% to 100% in rat, mouse, dog, and cynomolgus monkey, with low clearance in single intravenous (iv) infusion studies. When dosed at 2 mg/kg i.v. in mouse and rat, the T1/2 of BMS-935177 is 4 h and 5.1 h respectively. |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide |
| INCHI | 1S/C31H26N4O3/c1-17-19(8-6-10-26(17)35-16-33-24-9-5-4-7-22(24)30(35)37)20-13-14-23(29(32)36)28-27(20)21-12-11-18(31(2,3)38)15-25(21)34-28/h4-16,34,38H,1-3H3,(H2,32,36) |
| InChi Key | TVJRDCQUZMGBAB-UHFFFAOYSA-N |
| Smiles | CC1=C(C=CC=C1N2C=NC3=CC=CC=C3C2=O)C4=C5C6=C(C=C(C=C6)C(C)(C)O)NC5=C(C=C4)C(=O)N |
| Isomeric SMILES | CC1=C(C=CC=C1N2C=NC3=CC=CC=C3C2=O)C4=C5C6=C(C=C(C=C6)C(C)(C)O)NC5=C(C=C4)C(=O)N |
| 分子量 | 502.56 |
| Reaxy-Rn | 24440606 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24440606&ln= |
| 分子量 | 502.600 g/mol |
|---|---|
| XLogP3 | 4.500 |
| 氢键供体数Hydrogen Bond Donor Count | 3 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 502.2 Da |
| 单同位素质量Monoisotopic Mass | 502.2 Da |
| 拓扑极表面积Topological Polar Surface Area | 112.000 Ų |
| 重原子数Heavy Atom Count | 38 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 951.000 |
| 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 | 0 |
| 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 | 1 |
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