Cyclo (RGDyK) TFA

CAT: 0957-S7844-25mgSize: 25 mgDry Ice: YesHazardous: No

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CAT#:0957-S7844-25mgSize:25 mg

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CAS Number

250612-42-1

Target

Integrin

Applications

Cytoskeletal Signaling

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

Molecular Formula

C31H43F6N9O12

Additionnal Information

Cyclo (RGDyK) TFA is a salt formed by the combination of Cyclo (RGDyK) and trifluoroacetate (TFA) . It is an effective and selective Integrin αvβ3 inhibitor with a low IC50 value (e.g., 20 nM) . Cyclo (RGDyK) TFA is of great significance in the treatment of cardiovascular diseases, osteoporosis, inflammation and tumors.

Storage Conditions

2 years -80 in solvent

Chemical Information

Cyclic Arg-Gly-Asp-D-Tyr-Lys

CAS Number	250612-42-1
PubChem CID	129896716
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;bis(2,2,2-trifluoroacetic acid)
Molecular Formula	C31H43F6N9O12
Molecular Weight	847.7
Topological Polar Surface Area	368
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	12
Heavy Atom Count	58
Formal Charge	0
Complexity	1130

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=C(C=C2)O)CC(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

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

InChIKey

CDDUWKKOPQABPG-TVSMIREGSA-N

Chemical Structure

2D Structure

CAS: 250612-42-1

CID: 129896716

Formula: C31H43F6N9O12

MW: 847.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	847.7
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	12
Exact Mass	847.29353681
Monoisotopic Mass	847.29353681
Topological Polar Surface Area	368 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1130
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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S7834-1g	Cyclo (-RGDfK) TFA
S7834-10mM/1mL	Cyclo (-RGDfK) TFA
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Alternative Products

Catalog	Name
B6015-25	Cyclo(RGDyK)
C04048-5mg	Cyclo (RGDyK)
CRB1001169-01	Cyclo (-RGDyK)
BUP03793-01	Cyclo (RGDyK) trifluoroacetate
C12992-10mM/1mL	Cyclo (RGDyK) TFA
A21819-5	Cyclo (RGDyK) 5mg
A21819-1	Cyclo (RGDyK) 1mg
A21819-50	Cyclo (RGDyK) 50mg
HY-100563AR	Cyclo (RGDyK) (Standard)
HY-100563-01	Cyclo (RGDyK) (trifluoroacetate)

Cyclo (RGDyK) TFA

Chemical Information

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