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Chemistry

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Also known as: Hetrombopag diolamine, 1257792-42-9, Shr8735 olamine, Hetrombopag ethanolamine, Shr-8735 olamine, V45t2i862x
Molecular Formula
C29H36N6O7
Molecular Weight
580.6  g/mol
InChI Key
RKEJRDZRWWDSRX-UHFFFAOYSA-N
FDA UNII
V45T2I862X

Hetrombopag olamine
Hetrombopag Olamine is the orally active ethanolamine salt of hetrombopag, a small-molecule, nonpeptide thrombopoietin receptor (TPO-R or CD110) agonist, with megakaryopoiesis-stimulating activity. Upon oral administration, hetrombopag targets, binds to and stimulates the transmembrane domain of the platelet TPO-R, a member of the hematopoietin receptor superfamily. Activation of TPO-R leads to the proliferation and differentiation of cells in the megakaryocytic lineage and an increase in platelet production. This may prevent or treat chemotherapy-induced thrombocytopenia.
1 2D Structure

Hetrombopag olamine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
bis(2-aminoethanol);5-[2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]furan-2-carboxylic acid
2.1.2 InChI
InChI=1S/C25H22N4O5.2C2H7NO/c1-14-22(24(31)29(28-14)17-10-9-15-5-2-3-6-16(15)13-17)27-26-19-8-4-7-18(23(19)30)20-11-12-21(34-20)25(32)33;2*3-1-2-4/h4,7-13,28,30H,2-3,5-6H2,1H3,(H,32,33);2*4H,1-3H2
2.1.3 InChI Key
RKEJRDZRWWDSRX-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
V45T2I862X
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Hetrombopag Diolamine

2. 1257792-42-9

3. Shr8735 Olamine

4. Hetrombopag Ethanolamine

5. Shr-8735 Olamine

6. V45t2i862x

7. Unii-v45t2i862x

8. (z)-5-(2-hydroxy-3-(2- (3-methyl-5-oxo-1-(5,6,7,8-tetrahydronaphthalen- 2-yl)-1h-pyrazol-4(5h)-ylidene)hydrazinyl)phenyl) Furan-2-carboxylic Acid Diethanolamine

9. Rafutrombopag Diolamine

10. Rafutrombopag Olamine

11. Orb1986927

12. Schembl1706508

13. Schembl1706884

14. Schembl31679698

15. Glxc-10341

16. Hetrombopag Olamine [who-dd]

17. Akos040748526

18. Da-77338

19. Q27291517

20. 2-aminoethanol 5-{2-hydroxy-3-[5-methyl-3-oxo-2-(5,6,7,8-tetrahydro-naphthalen-2-yl)-2,3-dihydro-1h-pyrazol-4-ylazo]-phenyl}-furan-2-carboxylic Acid

21. 2-aminoethanol;5-[2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1h-pyrazol-4-yl]diazenyl]phenyl]furan-2-carboxylic Acid

2.4 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 580.6 g/mol
Molecular Formula C29H36N6O7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area220
Heavy Atom Count42
Formal Charge0
Complexity870
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

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