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Cyclo (-RGDfK) (TFA)

CAT: 0804-HY-P0023A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P0023A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cyclo (-RGDfK) TFA is a potent and selective inhibitor of the αvβ3 integrin, with an IC50 of 0.94 nM[1]. Cyclo (-RGDfK) TFA potently targets tumor microvasculature and cancer cells through the specific binding to the αvβ3 integrin on the cell surface[3].
CAS Number
500577-51-5
UNSPSC
12352209
Hazard Statement
H302, H315, H319, H335
Target
Integrin
Type
Peptides
Related Pathways
Cytoskeleton
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cyclo-rgdfk-tfa.html
Purity
99.82
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 33.33 mg/mL (ultrasonic)
Smiles
O=C(O)C(F)(F)F.O=C([C@H](CCCCN)NC([C@@H](CC1=CC=CC=C1)NC([C@H](CC(O)=O)NC(CN2)=O)=O)=O)N[C@@H](CCCNC(N)=N)C2=O
Molecular Formula
C29H42F3N9O9
Molecular Weight
717.69
Precautions
H302, H315, H319, H335
References & Citations
[1]Simecek J, et al. Benefits of NOPO as chelator in gallium-68 peptides, exemplified by preclinical characterization of (68) Ga-NOPO-c (RGDfK) . Mol Pharm. 2014 May 5;11 (5) :1687-95.|[2]Lopez-Rodriguez V, et al. Preparation and preclinical evaluation of (66) Ga-DOTA-E (c (RGDfK) ) 2 as a potential theranostic radiopharmaceutical. Nucl Med Biol. 2015 Feb;42 (2) :109-14.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported
Isoform
αvβ3
Citation 01
ACS Biomater Sci Eng. 2023 May 8;9 (5) :2524-2533.|Cell Mol Gastroenterol Hepatol. 2025 May 29:101548.|Int Immunopharmacol. 2025 May 26:159:114947.|ACS Appl Mater Interfaces. 2019 Jul 31;11 (30) :26648-26663. |Acta Biomater. 2021 May:126:183-198.|Adv Healthc Mater. 2021 Jul;10 (13) :e2100304.|Adv Sci (Weinh) . 2025 Oct 30:e01602.|Antioxidants (Basel) . 2024 Nov 1;13 (11) :1339.|Bioact Mater. 2021 Jan 7;6 (7) :2039-2057.|Biochem Biophys Res Commun. 2023 Sep 3:671:124-131.|Biochim Biophys Acta Mol Basis Dis. 2025 Mar 31;1871 (5) :167814.|bioRxiv. 2024 July 13.|bioRxiv. 2025 April 01.|Bone Res. 2024 Aug 28;12 (1) :49.|Drug Deliv Transl Res. 2024 Oct;14 (10) :2629-2641.|Engineering. 8 October 2020.|Free Radic Biol Med. 2024 Dec 9:227:296-311.|Heliyon. 2024 Jul 2;10 (13) :e34006.|J Extracell Vesicles. 2025 Aug;14 (8) :e70146.|J Nanobiotechnology. 2024 Sep 1;22 (1) :528.|Mater Today Nano. 2023 Dec:24:100432.|Mol Biol Rep. 2025 Feb 5;52 (1) :205.|Mol Ther Nucleic Acids. 2021 Jan 9;23:797-810.|Res Sq. 2024 Aug 07.

Chemical Information

Cyclo(-RGDfK) Trifluoroacetate
CAS Number500577-51-5
PubChem CID91759592
IUPAC Name2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC29H42F3N9O9
Molecular Weight717.7
Topological Polar Surface Area311
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Heavy Atom Count50
Formal Charge0
Complexity1100
SMILES
C1C(=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.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C27H41N9O7.C2HF3O2/c28-11-5-4-9-18-24(41)34-17(10-6-12-31-27(29)30)23(40)32-15-21(37)33-20(14-22(38)39)26(43)36-19(25(42)35-18)13-16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-3,7-8,17-20H,4-6,9-15,28H2,(H,32,40)(H,33,37)(H,34,41)(H,35,42)(H,36,43)(H,38,39)(H4,29,30,31);(H,6,7)/t17-,18-,19+,20-;/m0./s1
InChIKey
WHCQIPJAWCYHFT-HXSCNMCGSA-N
Chemical Structure
2D Structure
2D structure of Cyclo(-RGDfK) Trifluoroacetate
CAS: 500577-51-5
CID: 91759592
Formula: C29H42F3N9O9
MW: 717.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight717.7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Exact Mass717.30575844
Monoisotopic Mass717.30575844
Topological Polar Surface Area311 Ų
Heavy Atom Count50
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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