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2D Structure
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 Weight 508.6 g/mol
Molecular Formula C29H32N8O
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area85.4
Heavy Atom Count38
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1