G2227691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
-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
产品介绍：
Cilengitide (EMD 121974, NSC 707544)是一种有效的integrin抑制剂，作用于αvβ3受体和αvβ5受体，无细胞试验中IC50分别为4.1 nM和79 nM，比作用于gpIIbIIIa选择性高10倍左右。
Information
Cilengitide trifluoroacetate Cilengitide (EMD 121974, NSC 707544) is a potent integrin inhibitor for αvβ3 receptor and αvβ5 receptor with IC50 of 4.1 nM and 79 nM in cell-free assays, respectively; ~10-fold selectivity against gpIIbIIIa. Phase 2.
Targets
αvβ3 receptor (Cell-free assay); αvβ5 receptor (Cell-free assay) 4.1 nM; 79 nM
In vitro
Cilengitide is a cyclized pentapeptide peptidomimetic designed to compete for the arginine-glycine-aspartic acid (RGD) peptide sequence that regulates integrin-ligand binding. Cilengitide selectively and potently blocks the ligation of theαvβ3 andαvβ5 integrins to provisional matrix proteins such as vitronectin, fibronectin, fibrinogen, von Willebrand factor, osteopontin, and others. Cilegitide inhibits angiogenesis in vitro. 10 μM Cilengitide completely inhibits attachment of BAE, BME and HUVE cells on vitronectin and fibronectin. Cilengitide inhibits in vitro angiogenesis of BAE cells on three-dimensional collagen and fibrin gels pretreated with FGF-2(or VEGF-A) with IC50 of 15 μM and 8 μM, 4 μM and 3 μM, respectively. Cilengitide blocks proliferation and induces apoptosis of endothelial cells as well as differentiation of human endothelial precursor cells (EPCs). 50 μg/mL Cilengitide completely inhibits the proliferation of human microvascular endothelial cell line HMEC-1 and leads to apoptosis in ~30% cells. 1.0 μM Cilengitide treating for 9 days inhibits the proliferation of EPCs by nearly 40%. 1 μM Cilengitide inhibits the differentiation of EPCs by more than 80% at 14 days. Cilengitide inhibits adhesion and induces apoptosis of tumor cells. 25 μg/mL Cilengitide causes detachment of DAOY cells (medulloblastoma) and U87MG cells (glioblastoma) from vitronectin and tenascin by more than 60%. 25 μg/mL Cilengitide induces a nearly 50% apoptosis rate of these cells.
In vivo
Cilengitide is activity against tumor growth and angiogenesis as single-agent. 100 μg Cilengitide induces a significant decrease in the number of CD 31+ vessels seen in tumors (2/high-Solid field) compared with control tumors (56/high-Solid field). 100 μg Cilengitide increases cellular apoptosis in the brain tumors of animals (2.2% apoptotic cells/high-Solid field) compared with those receiving the inactive peptide (1.7% cells/high-Solid field). Cilengitide treatment results in prolonged survival of the mice bearing melanoma xenografts M21 compared with control treatment group. (36.5 vs 17.3 days). Cilengitide can augment the therapeutic benefit associated with cytotoxic agents including chemotherapy and radiation therapy in tumor models. Cilengitide (250 mg/dose) alone does not alter tumor growth of breast cancer xenografts when compared with untreated mice, but combined modality RIT (CMRIT) using RIT and six doses of Cilengitide (250 mg/dose) increases efficacy of treatment, with the cure rate for mice that receives only RIT increasing from 15 to 53%. CMRIT significantly increases apoptosis of tumor and endothelial cells 5 days, and decreases tumor proliferation.
Cell Research(from reference)
Cell lines：Human microvascular endothelial cell line HMEC-1
Concentrations：1-50 μg/mL
Incubation Time：3 days
规格
英文别名
EMD 121974 | NSC 707544Cyclo(L-arginylglycyl-L-α-aspartyl-D-phenylalanyl-N-methyl-L-valyl) 2,2,2-trifluoroacetic acid(1:1)
规格或纯度
≥98%
英文名称
Cilengitide trifluoroacetate
生化机理
西仑吉肽（EMD 121974，NSC 707544）是一种强效整合素抑制剂，可抑制 αvβ3 受体和 αvβ5 受体，在无细胞实验中的 IC50 分别为 4.1 nM 和 79 nM；对 gpIIbIIIa 的选择性约为 10 倍。第 2 阶段。
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
≥98%
名称和识别符
PubChem SID
分子类型
肽
IUPAC Name
2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;2,2,2-trifluoroacetic acid
INCHI
1S/C27H40N8O7.C2HF3O2/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16;3-2(4,5)1(6)7/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30);(H,6,7)/t17-,18-,19+,22-;/m0./s1
InChi Key
WHJCSACXAPYNTG-LOPTWHKWSA-N
Smiles
CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N.C(=O)(C(F)(F)F)O
PubChem CID
分子量
702.68
技术文档
高级数据
三维结构
交互式化学结构模型
产品属性
| ALogP | -0.565 |
|---|---|
| HBD Count | 6 |
| Rotatable Bond | 11 |
化学和物理性质
溶解性
Solubility (25°C) In vitro DMSO: 100 mg/mL (142.31 mM); Water: 6.25 mg/mL (8.89 mM); Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility
100
DMSO(mM) Max Solubility
142.3122901
Water(mg / mL) Max Solubility
8
Water(mM) Max Solubility
11.38498321
分子量
702.700 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
8
氢键受体数Hydrogen Bond Acceptor Count
13
可旋转键计数Rotatable Bond Count
9
精确质量Exact Mass
702.295 Da
单同位素质量Monoisotopic Mass
702.295 Da
拓扑极表面积Topological Polar Surface Area
276.000 Ų
重原子数Heavy Atom Count
49
形式电荷Formal Charge
0
复杂度Complexity
1110.000
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
4
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
2
质检证书（CoA,COO,BSE/TSE 和分析图谱)
溶液计算器
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