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Avatrombopag

CAS No.:
570406-98-3
Catalog Number:
AG00ECF7
Molecular Formula:
C29H34Cl2N6O3S2
Molecular Weight:
649.6547
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Product Description
Catalog Number:
AG00ECF7
Chemical Name:
Avatrombopag
CAS Number:
570406-98-3
Molecular Formula:
C29H34Cl2N6O3S2
Molecular Weight:
649.6547
MDL Number:
MFCD18633249
IUPAC Name:
1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38)
InChI Key:
OFZJKCQENFPZBH-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1sc(c(n1)c1scc(c1)Cl)N1CCN(CC1)C1CCCCC1
UNII:
3H8GSZ4SQL
Properties
Complexity:
935  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
648.151g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
649.65g/mol
Monoisotopic Mass:
648.151g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Avatrombopag Before Procedures Reduces Need for Platelet Transfusion in Patients With Chronic Liver Disease and Thrombocytopenia. Gastroenterology 20180901
Pharmacokinetics, Pharmacodynamics, Pharmacogenomics, Safety, and Tolerability of Avatrombopag in Healthy Japanese and White Subjects. Clinical pharmacology in drug development 20180201
Phase II study of avatrombopag in thrombocytopenic patients with cirrhosis undergoing an elective procedure. Journal of hepatology 20141201
Pharmacological profile of AS1670542, a novel orally-active human thrombopoietin receptor agonist. European journal of pharmacology 20110110
AKR-501 (YM477) a novel orally-active thrombopoietin receptor agonist. European journal of haematology 20090401
Romiplostim: a second-generation thrombopoietin agonist. Drugs of today (Barcelona, Spain : 1998) 20090301
AKR-501 (YM477) in combination with thrombopoietin enhances human megakaryocytopoiesis. Experimental hematology 20081001
Properties