862772-11-0 ((Cyclo(Arg-Gly-Asp-D-Phe-Cys))

CAS号:
862772-11-0
英文名称:
Cyclo(Arg-Gly-Asp-D-Phe-Cys)
分子式:
C24H34N8O7S
分子量:
578.641163349152
简介:
Cyclo(Arg-Gly-Asp-D-Phe-Cys) (Cyclo RGDfC) 是一种对 αvβ3 具有高亲和力的环状 RGD 多肽,能够破坏细胞整合素相互作用。Cyclo(Arg-Gly-Asp-D-Phe-Cys) 抑制胚胎干细胞 (ESC) 的多能性基因表达,并在体内抑制 mESC 的致瘤潜力。Cyclo(Arg-Gly-Asp-D-Phe-Cys) 可用于肿瘤相关的研究。
多肽:

Cyclo(Arg-Gly-Asp-D-Phe-Cys)(862772-11-0)名称与标识符

名称

英文别名:
cyclo (Arg-Ala-Asp-d-Phe-Cys);c(RGDfC);CYCLO (ARG-GLY-ASP-D-PHE-CYS);CYCLO(-ARG-GLY-ASP-D-PHE-CYS);Cyclo(-RGDfC), avb3 Integrin Binding Cyclic RGD Peptide;C(RADfC);CYCLO(RADFC);cyclo(RGDFC);Cyclo(Arg-Gly-Asp-D-Phe-Cys);4: PN: WO2020023462 PAGE: 42 claimed protein;862772-11-0;2-[5-Benzyl-11-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-8-(sulfanylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;DA-62574;SCHEMBL23018575;Cyclo(RGDfC)?;

标识符

MDL:
MFCD18782480
InChIKey:
WNYJVAMZRBTOPE-YVSFHVDLSA-N
Inchi:
1S/C24H34N8O7S/c25-24(26)27-8-4-7-14-20(36)28-11-18(33)29-16(10-19(34)35)22(38)31-15(9-13-5-2-1-3-6-13)21(37)32-17(12-40)23(39)30-14/h1-3,5-6,14-17,40H,4,7-12H2,(H,28,36)(H,29,33)(H,30,39)(H,31,38)(H,32,37)(H,34,35)(H4,25,26,27)/t14-,15+,16-,17-/m0/s1
SMILES:
C(C1C=CC=CC=1)[C@@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1

Cyclo(Arg-Gly-Asp-D-Phe-Cys)(862772-11-0)物化性质

计算特性

  • 精确分子量 : 578.22711663g/mol
  • 氢键供体数量 : 9
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 9
  • 同位素质量 : 578.22711663g/mol
  • 重原子数量 : 40
  • 复杂度 : 969
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 4
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -2.2
  • 拓扑分子极性表面积 : 248Ų

Cyclo(Arg-Gly-Asp-D-Phe-Cys)(862772-11-0)推荐厂家 更多厂家(23)

Cyclo(Arg-Gly-Asp-D-Phe-Cys)(862772-11-0)合成路线

合成路线:1 步
反应条件:
参考文献:
4D biomaterials for light-guided angiogenesis
Farrukh, Aleeza; et al, Advanced Functional Materials, 2019, 29(6),
合成路线:1 步
反应条件:
参考文献:
Multimerization of cRGD peptides by click chemistry: synthetic strategies, chemical limitations, and influence on biological properties
Wangler, Carmen; et al, ChemBioChem, 2010, 11(15), 2168-2181
合成路线:1 步
反应条件:
参考文献:
Aiming at the tumor-specific accumulation of MGMT-inhibitors: First description of a synthetic strategy towards inhibitor-peptide conjugates
Waengler, Bjoern; et al, Tetrahedron Letters, 2020, 61(19),
合成路线:1 步
反应条件:
参考文献:
Synthesis of Biomolecule-Modified Mesoporous Silica Nanoparticles for Targeted Hydrophobic Drug Delivery to Cancer Cells
Ferris, Daniel P.; et al, Small, 2011, 7(13), 1816-1826
合成路线:1 步
反应条件:
参考文献:
A facile N-mercaptoethoxyglycinamide (MEGA) linker approach to peptide thioesterification and cyclization
Shelton, Patrick M. M.; et al, Journal of the American Chemical Society, 2017, 139(11), 3946-3949
合成路线:1 步
参考文献:
Tumor targeting RGD conjugated bio-reducible polymer for VEGF siRNA expressing plasmid delivery
Kim, Hyun Ah; et al, Biomaterials, 2014, 35(26), 7543-7552
合成路线:2 步
参考文献:
Tumor targeting RGD conjugated bio-reducible polymer for VEGF siRNA expressing plasmid delivery
Kim, Hyun Ah; et al, Biomaterials, 2014, 35(26), 7543-7552
合成路线:2 步
反应条件:
参考文献:
A facile N-mercaptoethoxyglycinamide (MEGA) linker approach to peptide thioesterification and cyclization
Shelton, Patrick M. M.; et al, Journal of the American Chemical Society, 2017, 139(11), 3946-3949
合成路线:2 步
反应条件:
参考文献:
4D biomaterials for light-guided angiogenesis
Farrukh, Aleeza; et al, Advanced Functional Materials, 2019, 29(6),
合成路线:3 步
反应条件:
参考文献:
A facile N-mercaptoethoxyglycinamide (MEGA) linker approach to peptide thioesterification and cyclization
Shelton, Patrick M. M.; et al, Journal of the American Chemical Society, 2017, 139(11), 3946-3949
合成路线:3 步
反应条件:
参考文献:
4D biomaterials for light-guided angiogenesis
Farrukh, Aleeza; et al, Advanced Functional Materials, 2019, 29(6),
合成路线:4 步
反应条件:
参考文献:
4D biomaterials for light-guided angiogenesis
Farrukh, Aleeza; et al, Advanced Functional Materials, 2019, 29(6),
合成路线:1 步
参考文献:
Printed Degradable Optical Waveguides for Guiding Light into Tissue
Feng, Jun; et al, Advanced Functional Materials, 2020, 30(45),