Also known as: M4205, 2590556-80-0, Idrx-42, M-4205, N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine, Idrx42

Molecular Formula

C₂₉H₃₂N₈O

Molecular Weight

508.6 g/mol

InChI Key

LVMAULGVWBINFP-UHFFFAOYSA-N

FDA UNII

Y6UHU32G5Z

KIT-mutant Inhibitor IDRX-42 is an orally bioavailable small molecule inhibitor of multiple mutated forms of mast/stem cell factor receptor KIT (c-Kit; SCFR), with potential antineoplastic activity. Upon oral administration, KIT-mutant inhibitor IDRX-42 targets, binds to and inhibits specific c-Kit mutants. This may inhibit tumor cell proliferation in cancer cell types that overexpress these c-Kit mutations. c-Kit, a transmembrane protein and receptor tyrosine kinase (RTK) overexpressed in various solid tumors and hematological malignancies, plays a key role in the regulation of cell differentiation and proliferation. Mutant forms of c-Kit are often associated with tumor chemoresistance.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

2.1.2 InChI

InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)

2.1.3 InChI Key

LVMAULGVWBINFP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C=C(C=N1)C2=CC=C(C=C2)CNC3=NC=NC(=C3)C4=CN=C5N4C=CC(=C5)OCCCN6CCCC6

2.2 Other Identifiers

2.2.1 UNII

Y6UHU32G5Z

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Idrx-42

2. Idrx42

3. M4205

4. N-((4-(1-methylpyrazol-4-yl)phenyl)methyl)-6-(7-(3-pyrrolidin-1-ylpropoxy)imidazo(1,2-a)pyridin-3-yl)pyrimidin-4-amine

2.3.2 Depositor-Supplied Synonyms

1. M4205

2. 2590556-80-0

3. Idrx-42

4. M-4205

5. N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

6. Idrx42

7. Y6uhu32g5z

8. Chembl5314917

9. Schembl22918830

10. Gtpl11510

11. Ex-a5351

12. Nsc832522

13. Akos040759930

14. Nsc-832522

15. Compound 32 [pmid: 36728508]

16. Ms-29449

17. Cid 155587867

18. Hy-132166

19. Cs-0163532

20. G17845

21. M4205?

22. [4-(methyl-1h-pyrazol-4-yl)-benzyl] -(6-[7-(3-pyrrolidin-1-yl-propoxy)-imidazo[1,2-a] Pyridin-3-yl]-pyrimidin-4-yl]-amine

23. K3r

2.4 Create Date

2021-02-21

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₃₂N₈O
Molecular Weight	508.6 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	85.4
Heavy Atom Count	38
Formal Charge	0
Complexity	715
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

IDRX-42

IDRX-42

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