Forms and compositions of an ERK inhibitor
The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of one or both of ERK1 and ERK2.
1. A compound selected from the group consisting of:
2. The compound according to claim 1 , wherein said compound is crystalline.
3. The compound according to claim 1 , wherein said compound is substantially free of impurities.
4. The compound of claim 2 , wherein the compound is compound 3:
wherein compound 3 is characterized by one or more peaks in its XRPD pattern selected from those at about 8.9, about 10.3, and about 11.0 degrees 2-theta.
5. The compound of claim 4 , wherein compound 3 is characterized by two or more peaks in its XRPD pattern selected from those at about 8.9, about 10.3, and about 11.0 degrees 2-theta.
6. The compound of claim 4 , wherein compound 3 is characterized by an XRPD pattern substantially similar to that depicted in FIG. 28 .
7. The compound of claim 2 , wherein the compound is compound 4:
wherein compound 4 is characterized by:
one or more peaks in its XRPD pattern selected from those at about 9.3, about 15.7, and about 24.8 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 8.4, about 12.7, and about 17.8 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 7.7, about 8.2, and about 9.0 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 7.1, about 9.1, and about 11.2 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 7.7, about 10.7, and about 17.1 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 6.1, about 11.3, and about 18.6 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 5.2, about 8.7, and about 19.5 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 8.5, about 9.1, and about 10.2 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 4.7, about 7.1, and about 9.3 degrees 2-theta.
8. The compound of claim 2 , wherein the compound is compound 5:
wherein compound 5 is characterized by:
one or more peaks in its XRPD pattern selected from those at about 9.5, about 22.6, and about 24.8 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 8.3, about 17.9, and about 25.5 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 7.4, about 8.4, and about 10.5 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 7.2, about 10.8, and about 24.3 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 7.8, about 8.7, and about 16.4 degrees 2-theta.
9. The compound of claim 2 , wherein the compound is compound 6:
wherein compound 6 is characterized by:
one or more peaks in its XRPD pattern selected from those at about 6.2, about 7.1, and about 21.4 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 7.6, about 15.2, and about 22.9 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 7.1, about 7.6, and about 23.1 degrees 2-theta.
10. The compound of claim 2 , wherein the compound is compound 7:
wherein
compound 7 is characterized by one or more peaks in its XRPD pattern selected from those at about 7.3, about 8.7, and about 23.5 degrees 2-theta.
11. The compound of claim 2 , wherein the compound is compound 8:
wherein compound 8 is characterized by:
one or more peaks in its XRPD pattern selected from those at about 9.0, about 23.8, and about 24.8 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 8.9, about 23.4, and about 27.6 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 8.8, about 16.9, and about 24.2 degrees 2-theta; or
a DSC thermogram and TGA trace substantially similar to that depicted in FIG. 84 .
12. The compound of claim 2 , wherein the compound is compound 9:
wherein compound 9 is characterized by:
one or more peaks in its XRPD pattern selected from those at about 8.9, about 18.5, and about 25.2 degrees 2-theta; or
a DSC thermogram substantially similar to that depicted in FIG. 88 ; or
a TGA trace substantially similar to that depicted in FIG. 88 .
13. The compound of claim 2 , wherein the compound is compound 10:
wherein compound 10 is characterized by:
a DSC thermogram substantially similar to that depicted in FIG. 89 ; or
a TGA trace substantially similar to that depicted in FIG. 89 ; or
one or more peaks in its XRPD pattern selected from those at about 6.1, about 8.3, and about 22.6 degrees 2-theta.
14. The compound of claim 2 , wherein the compound is compound 11:
wherein compound 11 is characterized by one or more peaks in its XRPD pattern selected from those at about 8.9, about 9.2, and about 16.1 degrees 2-theta.
15. The compound of claim 2 , wherein the compound is compound 12:
wherein compound 12 is characterized by:
one or more peaks in its XRPD pattern selected from those at about 5.4, about 5.8, and about 22.0 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 5.0, about 9.9, and about 26.3 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 5.6, about 5.8, and about 8.4 degrees 2-theta.
16. A crystalline form of compound 1:
characterized by:
one or more peaks in its XRPD pattern selected from those at about 7.2, about 9.3, and about 17.7 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 7.6, about 15.3 and about 15.9 degrees 2-theta; or
one or more peaks in its XRPD pattern selected from those at about 10.6, about 15.0, and about 17.3 degrees 2-theta.