计算溶液所需的质量、体积或浓度。
为什么选择此级别
提供 ≥98% 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
2-8°C储存,干燥。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
CCT128930 hydrochloride is a potent and selective inhibitor of AKT ( IC 50 =6 nM). CCT128930 hydrochloride has 28-fold selectivity over the closely related PKA kinase (IC 50 =168 nM) through the targeting of Met282 of AKT (Met173 of PKA-AKT chimera), as well as 20-fold selectivity over p70S6K (IC 50 =120 nM). CCT128930 hydrochloride induces cell cycle arrest, DNA damage, and autophagy . Antitumor activity
In Vitro
The GI 50 values of CCT128930 hydrochloride for growth inhibition are 6.3 μM for U87MG human glioblastoma cells, 0.35 μM for LNCaP human prostate cancer cells, and 1.9 μM for PC3 human prostate cancer cells, all of which are PTEN-deficient human tumor cell lines. CCT128930 (0.1-60 μM; 1 hour; U87MG human glioblastoma cells) hydrochloride shows an initial induction of AKT phosphorylation at serine 473 up to 20 μM, followed by a decreased in phosphorylation at higher concentrations. CCT128930 hydrochloride inhibits direct substrates of AKT (Ser9 GSK3β, pThr246 PRAS40 and pT24 FOXO1/p32 FOXO3a) at ≥5 μM, and the downstream target, pSer235/236 S6RP at ≥10 μM, with generally constant levels of the respective total proteins and GAPDH. CCT128930 (18.9 μM; U87MG human glioblastoma cells) hydrochloride causes an increase in phosphorylation of pSer473 AKT after 30 minutes, which is sustained for 48 hours. Total AKT protein signal decreases gradually from 8 hours to 48 hours of treatment. CCT128930 ( PTEN - U87MG human glioblastoma cells; over a 24-hour time period) hydrochloride results in an increase in G0/G1 phase cells from 43.6% to 64.8% after 24 hours of treatment. CCT128930 (0-10 μM; 24 hours) hydrochloride increases, but not inhibites, the phosphorylation of Akt in HepG2 and A549 cells. CCT128930 (0-20 μM; 24 hours) hydrochloride inhibits cell proliferation by inducing cell cycle arrest in G1 phase through downregulation of cyclinD1 and Cdc25A, and upregulation of p21, p27 and p53. CCT128930 (20 μM) hydrochloride triggers cell apoptosis with activation of caspase-3, caspase-9, and PARP. CCT128930 (0-20 μM; 24 hours) hydrochloride increases phosphorylation of ERK and JNK in HepG2 cells. CCT128930 (0-20 μM; 24 hours) hydrochloride activates DNA damage response of HepG2 cell characterized by phosphorylation of H2AX, ATM (ataxia-telangiectasia mutated), Chk1 and Chk2. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
CCT128930 (25 or 40 mg/kg; i.p. daily or twice daily for 5 days) hydrochloride shows antitumor activities in U87MG and BT474 human breast cancer xenografts .\nSummary of the pharmacokinetic parameters of CCT128930 (25 mg/kg) in CrTacNCr- Fox1nu mice Tissue Route T 1/2 (h) T max (h) C max (μM) V ss (L) Cl (L/h) AUC 0-∞ (µMh) Bioavailability (%) Plasma i.v. 0.95 0.083 6.36 0.25 0.325 4.62 100 Plasma i.p. 2.33 0.5 1.28 N/A 0.372 1.33 28.8 Tumor i.p. 3.89 1 8.02 N/A 0.06 * 25.8 N/A Plasma p.o. 0.57 0.5 0.432 N/A 0.317 0.392 8.5 * Apparent clearance. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: 6-8 weeks old female CrTacNCr- Fox1nu mice Dosage: 25 mg/kg (U87MG human glioblastoma xenografts) or 40 mg/kg (BT474 human breast cancer xenografts) Administration: i.p. daily for 5 days (U87MG human glioblastoma xenografts); i.p. twice daily for 5 days (BT474 human breast cancer xenografts) Result: Giving a treated:control (T/C) ratio on day 12 of 48%. There was no weight loss associated with this regime in U87MG human glioblastoma xenografts. Had a profound antitumor effect with complete growth arrest and a T/C ratio of 29% on day 22. This regimen was associated with minimal weight loss, with a nadir of only 94.8% of the initial body weight on day 15 of treatment in BT474 human breast cancer xenografts.
Form:Solid
IC50& Target:Akt2 6 nM (IC 50 ) PKA 168 nM (IC 50 ) p70S6K 120 nM (IC 50 ) Autophagy Apoptosis
规格
别名
CCT128930 盐酸盐
规格或纯度
≥98%
英文名称
CCT128930 hydrochloride
生化机理
CCT128930 盐酸盐是一种强效的 AKT 选择性抑制剂（IC 50 =6 nM）。通过靶向 AKT 的 Met282（PKA-AKT 嵌合体的 Met173），CCT128930 盐酸盐的选择性是与之密切相关的 PKA 激酶（IC 50 =168 nM）的 28 倍。
储存条件
2-8°C储存,干燥
运输条件
低温运输
作用类型
抑制剂
纯度
≥98%
名称和识别符
分子类型
小分子
IUPAC Name
4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;hydrochloride
INCHI
1S/C18H20ClN5.ClH/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17;/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23);1H
InChi Key
OFLOSUNRPFWODP-UHFFFAOYSA-N
Smiles
C1CN(CCC1(CC2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4.Cl
PubChem CID
分子量
378.3
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机杂环化合物 |
| 类（Class) | 哌啶类 |
| 亚类（Subclass） | 苄基哌啶 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 4-苄基哌啶 |
| 其他上位类（Alternative Parents） | 吡咯并嘧啶 二烷基芳胺 氯苯类 氨基嘧啶及其衍生物 取代吡咯 咪唑内酰胺类 杂芳族化合物 氯乙烯 炔丙基型1,3-偶极有机化合物 二烷基胺 氯烯烃 甲脒类 氮杂环化合物 脒类 有机光子化合物 有机氯化物 单烷基胺 盐酸盐 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 芳香族杂多环化合物 |
| 取代基（Substituents） | 4-苄基哌啶 - 氨基脒 - 氨基酸 - 氨基吡啶 - 芳香族杂多环化合物 - 氮杂环 - 苯基化合物 - 羧酰亚胺 - 氯代烯烃 - 氯苯 - 二烷基芳基胺 - 卤代乙烯 - 卤苯 - 杂芳香族化合物 - 烃衍生物 - 氟氯烃 - 咪唑内酰胺 - 单环苯基基团 - 有机1,3-双极性化合物 - 有机硝基化合物 - 有机氯化物 - 有机卤化物 - 有机氮化合物 - 有机氮化合物 - 初级脂肪胺 - 丙炔型1,3-双极性有机化合物 - 嘧啶 - 吡咯 - 吡咯吡啶 - 二级脂肪胺 - 醛基 - 取代吡咯 - 三级脂肪族/芳香族胺 - 三芳基胺 - 氯乙烯 - 乙烯基卤化物 |
| 描述（Description） | 该化合物属于有机化合物中的4-苄基哌啶类。这类化合物在哌啶环4位连接有苄基。 |
| 外部描述符（External Descriptors） | 暂无 |
三维结构
交互式化学结构模型
化学和物理性质
溶解性
DMSO : 20 mg/mL (52.87 mM; ultrasonic and warming and heat to 60°C)
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
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