| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| R422181-1ml |
1ml |
现货  |
|
| 别名 | 1-[(2S,5R)-2-甲基-5-(7H-吡咯并[2,3-d]嘧啶-4-基氨基)-1-哌啶基] -2-丙烯-1-酮丙二酸酯 |
|---|---|
| 英文别名 | DB14924 | Ritlecitinib? | RITLECITINIB [WHO-DD] | PF06651600;PF 06651600 | GTPL9559 | DS-13951 | HY-100754 | AC-35550 | PF 06651600 | ritlecitinib | CCG-267324 | 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one |
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | Ritlecitinib (PF-06651600) |
| 生化机理 | Ritlecitinib（PF-06651600）是一种强效、不可逆的 JAK3 选择性抑制剂，IC50 为 33.1 nM，但对 JAK1、JAK2 和 TYK2 没有活性（IC50 > 10 000 nM）。 |
| 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 |
| 作用机制 | TEC 家族激酶抑制剂 |
| 产品介绍 |
Information Ritlecitinib (PF-06651600) is a potent and irreversibleJAK3-selectiveinhibitor with an IC50 of 33.1 nM but without activity (IC50 > 10 000 nM) against JAK1, JAK2, and TYK2. Targets JAK3 (Cell-free assay) 33.1 nM In vitro PF-06651600, a newly discovered potent JAK3-selective inhibitor, is highly efficacious at inhibiting γc cytokine signaling, which is dependent on both JAK1 and JAK3. it inhibits Th1 and Th17 cell differentiation and function. In total lymphocytes in human whole blood, PF-06651600 inhibits the phosphorylation of STAT5 elicited by IL-2, IL-4, IL-7, and IL-15 with IC50 values of 244, 340, 407, and 266 nM, respectively, and it inhibits the phosphorylation of STAT3 elicited by IL-21 with an IC50 of 355 nM. In vivo PF-06651600 reduces disease pathology in rat adjuvant-induced arthritis as well as in mouse experimental autoimmune encephalomyelitis models. PF-06651600 has suitable pharmacokinetics and pharmacodynamics properties for preclinical and clinical evaluations. Human pharmacokinetics of PF-06651600 are predicted to show approximate values of blood clearance of 5.6 mL/min/kg, a steady state volume of distribution of 1.3 L/kg, oral bioavailability of 90%, and a systemic half-life of 2 h. |
| IC50 | JAK3, IC50: 33.1 nM |
|---|---|
| ALogP | 1.854 |
| hba_count | 3 |
| HBD Count | 2 |
| Rotatable Bond | 3 |
| 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 | 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one |
| INCHI | 1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1 |
| InChi Key | CBRJPFGIXUFMTM-WDEREUQCSA-N |
| Smiles | C=CC(N1[C@@H](C)CC[C@@H](NC2=C3C(NC=C3)=NC=N2)C1)=O |
| Isomeric SMILES | C[C@H]1CC[C@H](CN1C(=O)C=C)NC2=NC=NC3=C2C=CN3 |
| PubChem CID | 118115473 |
| 分子量 | 285.34 |
| DMSO(mg / mL) Max Solubility | 57 |
|---|---|
| DMSO(mM) Max Solubility | 199.7616878 |
| 分子量 | 285.340 g/mol |
| XLogP3 | 2.100 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 3 |
| 精确质量Exact Mass | 285.159 Da |
| 单同位素质量Monoisotopic Mass | 285.159 Da |
| 拓扑极表面积Topological Polar Surface Area | 73.900 Ų |
| 重原子数Heavy Atom Count | 21 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 402.000 |
| 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 | 2 |
| 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 |
| 象形图 | GHS08 |
|---|---|
| 信号词 | 警告 |
| 危险声明 |
H361: 怀疑破坏生育力或未出生的孩子 |
| 预防措施声明 |
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P203: 使用前，获取、阅读并遵守所有安全说明。 P318: 如果暴露或担心，请就医。 |
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