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Cyclo (RADfK)

CAT: 1410-M22327-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M22327-06Size:100 mg
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Description
Cyclo (RADfK) is a selective α (v) β (3) integrin ligand that has been extensively used for research, therapy, and diagnosis of neoangiogenesis.Cyclo (RADfK) is a negative control for the cyclo (-RGDfK-), the RGD peptide.
CAS Number
756500-23-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
617.7
Molecular Formula
C28H43N9O7
Notes
Research use only, not for human use.
Receptor
Integrin

Chemical Information

Cyclo(RADfK)
CAS Number756500-23-9
PubChem CID45107783
IUPAC Name2-[(2S,5R,8S,11S,14S)-8-(4-aminobutyl)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-14-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Molecular FormulaC28H43N9O7
Molecular Weight617.7
XLogP-4.3
Topological Polar Surface Area273
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count44
Formal Charge0
Complexity1040
SMILES
C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CCCCN)CC2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C28H43N9O7/c1-16-23(40)36-21(15-22(38)39)27(44)37-20(14-17-8-3-2-4-9-17)26(43)35-18(10-5-6-12-29)25(42)34-19(24(41)33-16)11-7-13-32-28(30)31/h2-4,8-9,16,18-21H,5-7,10-15,29H2,1H3,(H,33,41)(H,34,42)(H,35,43)(H,36,40)(H,37,44)(H,38,39)(H4,30,31,32)/t16-,18-,19-,20+,21-/m0/s1
InChIKey
SMFHXHGBDFBWOX-BWUHRYBWSA-N
Chemical Structure
2D Structure
2D structure of Cyclo(RADfK)
CAS: 756500-23-9
CID: 45107783
Formula: C28H43N9O7
MW: 617.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight617.7
XLogP3-4.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass617.32854474
Monoisotopic Mass617.32854474
Topological Polar Surface Area273 Ų
Heavy Atom Count44
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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