ChemicalBook--->CAS DataBase List--->163706-06-7

163706-06-7

163706-06-7 Structure

163706-06-7 Structure
IdentificationBack Directory
[Name]

CANGRELOR
[CAS]

163706-06-7
[Synonyms]

Kengreal
CANGRELOR
Cangrelor 13CD3
Cangrelor 13CD7
Cangrelor sodium
Cangrelor free acid
163706-06-7 CANGRELOR
AR-C69931 (Cangrelor)
Cangrelor (AR-C69931)
CANGRELOR;ARC69931;ARC 69931
5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(...
N-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-5'-adenylic acid anhydride with P,P'-(dichloromethylene)bis[phosphonic acid]
5'-Adenylic acid, N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-, anhydride with P,P'-(dichloromethylene)bis[phosphonic acid] (1:1)
Cangrelor (Crude)Q: What is Cangrelor (Crude) Q: What is the CAS Number of Cangrelor (Crude) Q: What is the storage condition of Cangrelor (Crude)
5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine
[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C17H25Cl2F3N5O12P3S2
[MDL Number]

MFCD09837758
[MOL File]

163706-06-7.mol
[Molecular Weight]

776.362
Chemical PropertiesBack Directory
[Boiling point ]

979.0±75.0 °C(Predicted)
[density ]

2.08
[pka]

0.82±0.50(Predicted)
[InChIKey]

PAEBIVWUMLRPSK-NJLALLTJNA-N
[SMILES]

P(O)(=O)(OP(O)(=O)OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)N1C=NC2C(NCCSC)=NC(SCCC(F)(F)F)=NC1=2)C(Cl)(Cl)P(O)(O)=O |&1:9,10,12,14,r|
Safety DataBack Directory
[Hazardous Substances Data]

163706-06-7(Hazardous Substances Data)
Hazard InformationBack Directory
[Uses]

Anti-platelet agent.
[Definition]

ChEBI: A nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively. Used (in the form of its tetrasodium salt) as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries.
[Clinical Use]

Direct P2Y12 platelet receptor antagonist:

Antiplatelet for patients undergoing a PCI
[in vivo]

Cangrelor tetrasodium (10 mg/kg) not only significantly decreases BLM-induced release of inflammatory cytokines (PF4, CD40 L and MPO), but also decreases the increment of platelets, neutrophils and platelet-neutrophil aggregates in the fibrotic lung and in the peripheral blood of BLM-treated mice[2].

[Drug interactions]

Potentially hazardous interactions with other drugs
None known
[IC 50]

P2Y12 Receptor
[Metabolism]

Cangrelor is deactivated rapidly in the plasma by dephosphorylation to form its main metabolite, a nucleoside. Following a 2 micrograms/kg/min infusion of [3 H] cangrelor, 58% was found in urine and the remaining 35% was found in faeces, presumably following biliary excretion.
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