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SAR216471 (hydrochloride)

CAT: 0804-HY-110265Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-110265Size:1 Each
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Description
SAR216471 hydrochloride is a P2Y12 receptor antagonist. SAR216471 hydrochloride has antiplatelet and antithrombotic activities in vivo[1].
CAS Number
1279829-64-9
UNSPSC
12352005
Target
P2Y Receptor
Related Pathways
GPCR/G Protein
Field of Research
Inflammation/Immunology
Smiles
O=C(C1=CN(CC(N2CCN(CC2)C)=O)C3=C1C=C(Cl)C=C3)NC4=NN=C(N5N=CC(C(CCC)=O)=C5C)C=C4.Cl
Molecular Formula
C28H32Cl2N8O3
Molecular Weight
599.51
References & Citations
[1]Boldron C, et al. N-[6- (4-butanoyl-5-methyl-1H-pyrazol-1-yl) pyridazin-3-yl]-5-chloro-1-[2- (4-methylpiperazin-1-yl) -2-oxoethyl]-1H-indole-3-carboxamide (SAR216471), a novel intravenous and oral, reversible, and directly acting P2Y12 antagonist. J Med Chem. 2014 Sep 11;57 (17) :7293-316.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
P2Y12 Receptor

Chemical Information

SAR 216471 hydrochloride
CAS Number1279829-64-9
PubChem CID70926954
IUPAC NameN-[6-(4-butanoyl-5-methylpyrazol-1-yl)pyridazin-3-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide;hydrochloride
Molecular FormulaC28H32Cl2N8O3
Molecular Weight599.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity918
SMILES
CCCC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)NC(=O)C3=CN(C4=C3C=C(C=C4)Cl)CC(=O)N5CCN(CC5)C)C.Cl
InChI
InChI=1S/C28H31ClN8O3.ClH/c1-4-5-24(38)21-15-30-37(18(21)2)26-9-8-25(32-33-26)31-28(40)22-16-36(23-7-6-19(29)14-20(22)23)17-27(39)35-12-10-34(3)11-13-35;/h6-9,14-16H,4-5,10-13,17H2,1-3H3,(H,31,32,40);1H
InChIKey
UQLWHBMSQKUYAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SAR 216471 hydrochloride
CAS: 1279829-64-9
CID: 70926954
Formula: C28H32Cl2N8O3
MW: 599.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight599.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass598.1974423
Monoisotopic Mass598.1974423
Topological Polar Surface Area118 Ų
Heavy Atom Count41
Formal Charge0
Complexity918
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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