Cyclo(-Arg-Gly-Asp-D-Tyr-ε-azido-Nle)
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Cyclo(-Arg-Gly-Asp-D-Tyr-ε-azido-Nle)

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Cyclo(-Arg-Gly-Asp-D-Tyr-ε-azido-Nle), an azido derivative of cRGDyK, can be modified or linked to carriers by click chemistry.

Category
Others
Catalog number
BAT-014761
CAS number
1392269-21-4
Molecular Formula
C27H39N11O8
Molecular Weight
645.68
IUPAC Name
2-[(2S,5R,8S,11S)-8-(4-azidobutyl)-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Synonyms
Azido-c(RGDyK); Cyclo(L-arginylglycyl-L-α-aspartyl-D-tyrosyl-6-azido-L-norleucyl); cyclo[Arg-Gly-Asp-D-Tyr-Nle(N3)]
Appearance
White Powder
Purity
≥95%
Sequence
Azido-Cyclo(-Arg-Gly-Asp-D-Tyr-Lys)
Storage
Store at -20°C
Solubility
Soluble in DMSO, Water
InChI
InChI=1S/C27H39N11O8/c28-27(29)31-10-3-5-17-23(43)32-14-21(40)34-20(13-22(41)42)26(46)37-19(12-15-6-8-16(39)9-7-15)25(45)36-18(24(44)35-17)4-1-2-11-33-38-30/h6-9,17-20,39H,1-5,10-14H2,(H,32,43)(H,34,40)(H,35,44)(H,36,45)(H,37,46)(H,41,42)(H4,28,29,31)/t17-,18-,19+,20-/m0/s1
InChI Key
PXEDUZWGHKWZNI-HAGHYFMRSA-N
Canonical SMILES
C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCCN=[N+]=[N-])CC2=CC=C(C=C2)O)CC(=O)O
1. Spiro-[cyclo-pentane-1,2'(1'H)-pyrido[2,3-d]pyrimidin]-4'(3'H)-one
Daxin Shi, Liupan Yang, Jianhong Tang, Xiuzhen Wang, Jiarong Li Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 18;66(Pt 9):o2301. doi: 10.1107/S1600536810027479.
The title compound, C(11)H(13)N(2)O, was obtained by cyclo-condensation of 2-amino-pyridine-3-carbonitrile with cyclo-penta-none. The mol-ecule is built up from two fused six-membered rings and one five-membered ring linked through a spiro C atom. Both the pyrimidine and the cyclo-pentane rings adopt envelope conformations. In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds.
2. Rupatadine
Manpreet Kaur, Jerry P Jasinski, Zane A Luopa, Neeraj Kumar, Nilesh G Patel, Omprakash Gudaparthi, H S Yathirajan Acta Crystallogr Sect E Struct Rep Online. 2013 May 31;69(Pt 6):o980. doi: 10.1107/S1600536813014256. Print 2013 Jun 1.
8-chloro-11-{1-[(5-methyl-pyridin-3-yl)meth-yl]piperidin-4-yl-idene}-6,11-di-hydro-5H-benzo[5,6]cyclo-hepta-[1,2-b]pyridine), C26H26ClN3, the dihedral angle between the mean planes of the chloro-phenyl and cyclo-hepta-[1,2-b]pyridinyl rings fused to the cyclo-heptane ring is 56.6 (1)°. The mean planes of the cyclo-hepta-[1,2-b]pyridinyl and 5-methyl-pyridin-3-yl rings are twisted by 64.9 (4)°. The central piperizene group is in a slightly distorted chair configuration. A weak intra-molecular C-H⋯N inter-action is observed between the cyclo-hepta-[1,2-b]pyridinyl and piperidin-4-yl-idene moieties.
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