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Ticagrelor-[d7]

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General Information
Catalog: BLP-013139
CAS: 1265911-55-4
Molecular Formula: C23H21D7F2N6O4S
Molecular Weight: 529.62

Chemical Structure

Description	A labelled form of Ticagrelor which inhibits adenosine uptake in the dog MDCK cells, and rat hepatoma H4IIE cells.
Synonyms	(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-D1,2-Cyclopentanediolifluorophenyl)cyclopropyl]amino]-5-(propylthio-d7)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol; AR-C 126532XX-d7; AZD 6140-d7
IUPAC Name	(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(1,1,2,2,3,3,3-heptadeuteriopropylsulfanyl)triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Related CAS	274693-27-5 (unlabelled)
Canonical SMILES	CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)OCCO)NC4CC4C5=CC(=C(C=C5)F)F
InChI	InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1/i1D3,2D2,7D2
InChI Key	OEKWJQXRCDYSHL-MHTCSOGVSA-N
Melting Point	>125°C (Subl.)
Purity	>95%
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Yellow Solid
Storage	Store at -20°C