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RUC-4

CAT: 1410-M11916-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M11916-01Size:1 Each
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Description
A potent, selective, non-RGD-mimetic αIIbβ3 integrin receptor antagonist with IC50 of 45 nM, with no activity on αVβ3 receptors.
CAS Number
1448313-27-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
386.434
Molecular Formula
C16H18N8O2S
Notes
Research use only, not for human use.
Receptor
Integrin

Chemical Information

Zalunfiban
CAS Number1448313-27-6
PubChem CID71668132
IUPAC Name2-amino-N-[5-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-pyridinyl]acetamide
Molecular FormulaC16H18N8O2S
Molecular Weight386.4
XLogP-1.2
Topological Polar Surface Area154
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity715
SMILES
C1CN(CCN1)C2=CC(=O)N3C(=N2)SC(=N3)C4=CC(=CN=C4)NC(=O)CN
InChI
InChI=1S/C16H18N8O2S/c17-7-13(25)20-11-5-10(8-19-9-11)15-22-24-14(26)6-12(21-16(24)27-15)23-3-1-18-2-4-23/h5-6,8-9,18H,1-4,7,17H2,(H,20,25)
InChIKey
LTVKZVGAALCRFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zalunfiban
CAS: 1448313-27-6
CID: 71668132
Formula: C16H18N8O2S
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass386.12734302
Monoisotopic Mass386.12734302
Topological Polar Surface Area154 Ų
Heavy Atom Count27
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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