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Ro 43-5054

CAT: 0804-HY-125668Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-125668Size:1 Each
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Description
Ro 43-5054 is a platelet glycoprotein IIb-IIIa receptor antagonist. Ro 43-5054 can be used in the research of early reocclusion after thrombolytic therapy[1].
CAS Number
138107-58-1
UNSPSC
12352005
Target
Integrin
Type
Reference compound
Related Pathways
Cytoskeleton
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ro-43-5054.html
Smiles
OC([C@H](CC1=CC=CC=C1)NC([C@H](CC(O)=O)NC(CCNC(C2=CC=C(C=C2)C(N)=N)=O)=O)=O)=O
Molecular Formula
C24H27N5O7
Molecular Weight
497.50
References & Citations
[1]S P Roux, et al. Effects of heparin, aspirin and a synthetic platelet glycoprotein IIb-IIIa receptor antagonist (Ro 43-5054) on coronary artery reperfusion and reocclusion after thrombolysis with tissue-type plasminogen activator in the dog. J Pharmacol Exp Ther. 1993 Jan;264 (1) :501-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ro 43-5054

structure given in first source; low molecular weight, noncyclic, peptidomimetic inhibitor

CAS Number138107-58-1
PubChem CID132121
IUPAC Name(3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Molecular FormulaC24H27N5O7
Molecular Weight497.5
XLogP-0.1
Topological Polar Surface Area212
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count36
Formal Charge0
Complexity820
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C24H27N5O7/c25-21(26)15-6-8-16(9-7-15)22(33)27-11-10-19(30)28-17(13-20(31)32)23(34)29-18(24(35)36)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H3,25,26)(H,27,33)(H,28,30)(H,29,34)(H,31,32)(H,35,36)/t17-,18-/m0/s1
InChIKey
XPXOBWWMCFKOKQ-ROUUACIJSA-N
Chemical Structure
2D Structure
2D structure of Ro 43-5054
CAS: 138107-58-1
CID: 132121
Formula: C24H27N5O7
MW: 497.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight497.5
XLogP3-0.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass497.19104822
Monoisotopic Mass497.19104822
Topological Polar Surface Area212 Ų
Heavy Atom Count36
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes