1,2-Cyclopentanediol, 3-[7-aMino-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyriMidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-

CAS NO.：1251765-07-7
Empirical Formula: C14H22N6O4S
Molecular Weight: 370.43
MDL number: MFCD31694232
Update Date: 2024-04-12 23:00:47

What is 1,2-Cyclopentanediol, 3-[7-aMino-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyriMidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-?

The Uses of 1,2-Cyclopentanediol, 3-[7-aMino-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyriMidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-

AR-C133913XX is an metabolte of Ticagrelor (T437700) which is the first reversible oral P2Y12 receptor antagonist, provides faster, greater, and more consistent ADP-receptor inhibition than Clopidogrel. Ticagrelor is used in the treatment of acute coronary syndromes (ACS).

Properties of 1,2-Cyclopentanediol, 3-[7-aMino-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyriMidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-

Boiling point:	711.4±70.0 °C(Predicted)
Density	1.75±0.1 g/cm3(Predicted)
solubility	DMSO (Slightly), Methanol (Slightly, Heated)
form	Solid
pka	13.26±0.70(Predicted)
color	White to Off-White
Stability:	Hygroscopic
InChI	InChI=1S/C14H22N6O4S/c1-2-5-25-14-16-12(15)9-13(17-14)20(19-18-9)7-6-8(24-4-3-21)11(23)10(7)22/h7-8,10-11,21-23H,2-6H2,1H3,(H2,15,16,17)/t7-,8+,10+,11-/m1/s1
CAS DataBase Reference	1251765-07-7

Safety information for 1,2-Cyclopentanediol, 3-[7-aMino-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyriMidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 1,2-Cyclopentanediol, 3-[7-aMino-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyriMidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-

InChIKey	YTYBSYIHUFBLKV-YKDSUIRESA-N
SMILES	[C@@H]1(O)[C@@H](OCCO)C[C@@H](N2C3C(N=N2)=C(N)N=C(SCCC)N=3)[C@@H]1O

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(1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

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