计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
为什么选择此级别
提供 ≥99% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
-20°C储存。超低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 0 篇同行评审文献引用。
概述
PGMI-004A is a potent phosphoglycerate mutase 1 ( PGAM1 ) inhibitor with an IC 50 of 13.1 μM.
In Vitro
PGMI-004A inhibits PGAM1 with an IC 50 of approximately 13.1 μM and the K d value of the PGMI-004A-PGAM1 interaction is determined to be 7.2±0.7 μM from fluorescence-based binding assay. PGMI-004A may allosterically modulate the enzyme activity of PGAM1. The K i value is determined to be 3.91±2.50 μM using Dixon plot analysis. The K d value for protein-ligand interaction is calculated to be 9.4±2.0 μM. Inhibition of PGAM1 activity by PGMI-004A (20 μM) treatment results in decreased 2-PG and increased 3-PG levels in H1299 cells, which could be rescued by treatment with methyl-2-PG. Treatment with PGMI-004A (20 μM) results in significantly reduced lactate production that is rescued by methyl-2-PG treatment, but has no significant effect on intracellular ATP levels. PGMI-004A (20 μM) treatment results in decreased oxidative PPP flux and NADPH/NADP+ratio, as well as reduced biosynthesis of lipids and RNA, and cell proliferation in H1299 cells. PGMI-004A treatment results in decreased cell proliferation of diverse human cancer and leukemia cells, but not control human dermal fibroblasts (HDF), human foreskin fibroblasts (HFF), human HaCaT keratinocyte cells and human melanocyte PIG1 cells, suggesting minimal non-specific toxicity of PGMI-004A in normal, proliferating human cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
The xenograft experiment is performed by injecting H1299 cells to nude mice. Six days post-injection, mice are divided into two groups (n=8/group) and treated with either PGMI-004A (100mg/kg/day) or vehicle for 21 days. PGMI-004A treatment results in significantly decreased tumor growth and tumor size in treated mice compared with mice receiving vehicle control. Moreover, treatment with PGMI-004A effectively inhibits PGAM1 enzyme activity in tumors in vivo in resected tumors from xenograft nude mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 13.1 μM (PGAM1)
规格
规格或纯度
≥99%
英文名称
PGMI-004A
生化机理
PGMI-004A 是一种强效的磷酸甘油酸突变酶 1（PGAM1）抑制剂，其 IC 50 为 13.1 μM。
储存条件
-20°C储存
运输条件
超低温运输
作用类型
抑制剂
纯度
≥99%
名称和识别符
分子类型
小分子
Isomeric SMILES
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)S(=O)(=O)NC4=CC=C(C=C4)C(F)(F)F
PubChem CID
分子量
463.38
技术文档
高级数据
关联靶点（人）
K562
(73714 活性数据)
MCF7
(126967 活性数据)
NHDF
(1164 活性数据)
PANC-1
(6144 活性数据)
A549
(127892 活性数据)
EOL1
(427 活性数据)
NCI-H1299
(3248 活性数据)
HaCaT
(4069 活性数据)
HEL
(6614 活性数据)
HFF
(3142 活性数据)
Leukemia cell
(223 活性数据)
PC-9
(1037 活性数据)
PBMC
(10003 活性数据)
PGAM1
Tchem
Phosphoglycerate mutase 1
(143 活性数据)
MOLM-14
(399 活性数据)
HEL-S-133P
L-lactate dehydrogenase
(161 活性数据)
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
关联靶点（其它种属）
Mus musculus (284745 活性数据)
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 |
|---|
化学和物理性质
溶解性
DMSO : ≥ 125 mg/mL (269.76 mM)
分子量
463.400 g/mol
XLogP3
4.700
氢键供体数Hydrogen Bond Donor Count
3
氢键受体数Hydrogen Bond Acceptor Count
10
可旋转键计数Rotatable Bond Count
3
精确质量Exact Mass
463.034 Da
单同位素质量Monoisotopic Mass
463.034 Da
拓扑极表面积Topological Polar Surface Area
129.000 Ų
重原子数Heavy Atom Count
32
形式电荷Formal Charge
0
复杂度Complexity
849.000
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
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
溶液计算器
常见问题
本产品的纯度是多少？
本产品的化学纯度（含量）为 ≥99%。批次的具体数值以分析证书（COA）为准。
本产品应如何储存？
请于?20 °C条件下保存。需冷冻保存以维持规定的有效期。
本产品如何运输？
本产品采用保温箱配冰袋运输。收货后请立即拆包，并按上述储存条件保存。
本产品的 CAS 号、分子式和分子量是多少？
本产品的 CAS 号为 1313738-90-7，分子式为 C21H12F3NO6S，分子量为 463.38 g/mol。
如何获取批次专用COA？
每个订单都会随附分析证书（COA），您也可以从账户订单历史中下载。如需订购前的COA，请联系您的客户代表，或使用PDP上的"申请COA"按钮——我们将提供代表性批次的COA。
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