Cyclo(RGDyK) - 10mM in DMSO , CAS No.250612-42-1

CAS: 250612-42-1 Cat. No.: C422862 Molecular Weight: 847.72 PubChem CID: 129896716

GRADE & PURITY 10mM in DMSO

Synonyms

cyclo(L-arginylglycyl-L-α-aspartyl-D-tyrosyl-L-lysyl),2,2,2-trifluoroacetate (1:2)

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Cyclo(RGDyK) Cyclo(RGDyK) is a potent and selective αVβ3 integrin inhibitor with IC50 of 20 nM.

Targets

αVβ3 integrin 20 nM

In vitro

Cyclo(RGDyK) shows high affinity and selectivity for αVβ3 over αVβ5 and αIIbβ3. Cyclo(RGDyK)-conjugated micelles (TPM) facilitated the cell-specific uptake of DiI into B16-F10 cells and HUVECs via integrin-mediated endocytosis compared with Cyclo(RGDyK) -free micelles (NPM).

In vivo

In apoE−/− mice, Cyclo(RGDyK) (1 nmol, i.v.) inhibits the increase of αVβ3 integrin expression in the intima of the left stenotic carotid artery.

Specifications

Synonyms

cyclo(L-arginylglycyl-L-α-aspartyl-D-tyrosyl-L-lysyl), 2, 2, 2-trifluoroacetate (1:2)

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Cyclo(RGDyK) is a potent and selective αVβ3 integrin inhibitor with IC50 of 20 nM.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Product Properties

• ALogP: -3.67
• HBD Count: 10
• Rotatable Bond: 14

Names and Identifiers

• Canonical Smiles: C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCCN)CC2=CC=C(C=C2)O)CC(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
• IUPAC Name: 2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;2,2,2-trifluoroacetic acid
• InChIKey: CDDUWKKOPQABPG-TVSMIREGSA-N
• INCHI: 1S/C27H41N9O8.2C2HF3O2/c28-10-2-1-4-18-24(42)34-17(5-3-11-31-27(29)30)23(41)32-14-21(38)33-20(13-22(39)40)26(44)36-19(25(43)35-18)12-15-6-8-16(37)9-7-15;2*3-2(4,5)1(6)7/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31);2*(H,6,7)/t17-,18-,19+,20-;;/m0../s1
• PubChem CID: 129896716
• Molecular Weight: 847.72

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 117.9634785
• Water(mg / mL) Max Solubility: 100
• Water(mM) Max Solubility: 117.9634785
• Molecular Weight: 847.700 g/mol
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 12
• Exact Mass: 847.294 Da
• Monoisotopic Mass: 847.294 Da
• Topological Polar Surface Area: 368.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3