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2D Structure
Also known as: Cevidoplenib [inn], 1703788-21-9, 3n3h8bx897, Cyclopropyl-[5-[[4-[4-[[(4s)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone, Methanone, cyclopropyl(5-((4-(4-(((4s)-4-hydroxy-2-isoxazolidinyl)methyl)-3-methyl-1h-pyrazol-1-yl)-2-pyrimidinyl)amino)-1-methyl-1h-indol-3-yl)-, Cevidoplenib [who-dd]
Molecular Formula
C25H27N7O3
Molecular Weight
473.5  g/mol
InChI Key
YCZUBLQESBVOSH-IBGZPJMESA-N
FDA UNII
3N3H8BX897

Cevidoplenib is an orally available inhibitor of spleen tyrosine kinase (SYK), with potential anti-inflammatory and immunomodulating activities. Upon oral administration, cevidoplenib binds to and inhibits the activity of SYK, blocking Fc receptor and B-cell receptor (BCR)-mediated signaling in inflammatory cells, including macrophages, neutrophils, mast cells, natural killer (NK) cells and B-cells. This leads to the inhibition of the activation of these inflammatory cells, and the related inflammatory responses and tissue damage. SYK, a non-receptor cytoplasmic protein tyrosine kinase widely expressed in hematopoietic cells, plays a key role in Fc receptor and B-cell receptor signaling in inflammatory cells. It is involved in coupling activated immunoreceptors, such as Fc receptors and B-cell receptors, to signal downstream events that mediate diverse cellular responses, including proliferation, differentiation, and phagocytosis, which are important for allergic and antibody-mediated immune diseases such as immune thrombocytopenia (ITP).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone
2.1.2 InChI
InChI=1S/C25H27N7O3/c1-15-17(10-31-12-19(33)14-35-31)11-32(29-15)23-7-8-26-25(28-23)27-18-5-6-22-20(9-18)21(13-30(22)2)24(34)16-3-4-16/h5-9,11,13,16,19,33H,3-4,10,12,14H2,1-2H3,(H,26,27,28)/t19-/m0/s1
2.1.3 InChI Key
YCZUBLQESBVOSH-IBGZPJMESA-N
2.1.4 Canonical SMILES
CC1=NN(C=C1CN2CC(CO2)O)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N(C=C5C(=O)C6CC6)C
2.1.5 Isomeric SMILES
CC1=NN(C=C1CN2C[C@@H](CO2)O)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N(C=C5C(=O)C6CC6)C
2.2 Other Identifiers
2.2.1 UNII
3N3H8BX897
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Cevidoplenib [inn]

2. 1703788-21-9

3. 3n3h8bx897

4. Cyclopropyl-[5-[[4-[4-[[(4s)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone

5. Methanone, Cyclopropyl(5-((4-(4-(((4s)-4-hydroxy-2-isoxazolidinyl)methyl)-3-methyl-1h-pyrazol-1-yl)-2-pyrimidinyl)amino)-1-methyl-1h-indol-3-yl)-

6. Cevidoplenib [who-dd]

7. Unii-3n3h8bx897

8. Chembl3921923

9. Schembl16653204

10. Bdbm196772

11. Ex-a5914

12. Hy-109082

13. Cs-0039259

14. Us9212178, 1

15. (s)-cyclopropyl(5-(4-(4-((4-hydroxyisoxazolidin-2-yl)methyl)-3-methyl-1h-pyrazol-1-yl)pyrimidin-2-ylamino)-1-methyl-1h-indol-3-yl)methanone

2.4 Create Date
2015-05-04
3 Chemical and Physical Properties
Molecular Weight 473.5 g/mol
Molecular Formula C25H27N7O3
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area110
Heavy Atom Count35
Formal Charge0
Complexity769
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1