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Cyclopeptide-5

CAT: 0013-GTR19240517-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240517-02Size:10 mg
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Description
Cyclopeptide-5 (EMD 270179) is an αVβ3 integrin antagonist that inhibits platelet-activating factor (PAF) -induced sickle cell adhesion to the endothelium, thereby improving hemodynamics. Its cytotoxic properties make it a candidate for research in angiogenesis, cancer biology, and vascular pathologies, applicable in both in vitro adhesion assays and in vivo models of blood flow.
CAS Number
197172-76-2
Smiles
O=C1C2 (NC (=O) [C@@H] (CC3=CC=CC=C3) NC (=O) [C@H] (CC (O) =O) NC (=O) CNC (=O) [C@H] (CCCNC (=N) N) N1) CCCCC2
Molecular Formula
C28H40N8O7
Molecular Weight
600.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclotetrapeptide-24 aminocyclohexane carboxylate
CAS Number197172-76-2
PubChem CID9873475
IUPAC Name2-[(9R,12S,18S)-9-benzyl-18-[3-(diaminomethylideneamino)propyl]-8,11,14,17,20-pentaoxo-7,10,13,16,19-pentazaspiro[5.14]icosan-12-yl]acetic acid
Molecular FormulaC28H40N8O7
Molecular Weight600.7
XLogP-0.9
Topological Polar Surface Area247
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1070
SMILES
C1CCC2(CC1)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N2)CC3=CC=CC=C3)CC(=O)O)CCCN=C(N)N
InChI
InChI=1S/C28H40N8O7/c29-27(30)31-13-7-10-18-23(40)32-16-21(37)33-20(15-22(38)39)24(41)34-19(14-17-8-3-1-4-9-17)25(42)36-28(26(43)35-18)11-5-2-6-12-28/h1,3-4,8-9,18-20H,2,5-7,10-16H2,(H,32,40)(H,33,37)(H,34,41)(H,35,43)(H,36,42)(H,38,39)(H4,29,30,31)/t18-,19+,20-/m0/s1
InChIKey
ROFCWWUBJHHVGZ-ZCNNSNEGSA-N
Chemical Structure
2D Structure
2D structure of Cyclotetrapeptide-24 aminocyclohexane carboxylate
CAS: 197172-76-2
CID: 9873475
Formula: C28H40N8O7
MW: 600.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.7
XLogP3-0.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass600.30199564
Monoisotopic Mass600.30199564
Topological Polar Surface Area247 Ų
Heavy Atom Count43
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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