Account Itacitinib adipate
- Catalog No. :
- ACJZCU556
- CAS No. :
- 1334302-63-4
- Molecular Formula :
- C32H33F4N9O5
- Molecular Weight :
- 699.67
IUPAC Name:2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(1-(3-fluoro-2-(trifluoromethyl)isonicotinoyl)piperidin-4-yl)azetidin-3-yl)acetonitrile adipate
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Product Information
| Product Name | Itacitinib adipate |
|---|---|
| IUPAC Name | 2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(1-(3-fluoro-2-(trifluoromethyl)isonicotinoyl)piperidin-4-yl)azetidin-3-yl)acetonitrile adipate |
| Molecular Formula | C32H33F4N9O5 |
| Molecular Weight | 699.67 |
| SMILES | N#CCC1(N2N=CC(C3=C4C(NC=C4)=NC=N3)=C2)CN(C5CCN(C(C6=CC=NC(C(F)(F)F)=C6F)=O)CC5)C1.O=C(O)CCCCC(O)=O |
| InChI Key | CEGWJIQFBNFMHQ-UHFFFAOYSA-N |
| Synonym | A903004 | 1334302-63-4 | UNII-XZG407XE0Y | 3-azetidineacetonitrile,1-[1-[[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]carbonyl]-4-piperidinyl]-3-[4-(1h-pyrrolo[2,3-b]pyridin-4-yl)-1h-pyrazol-1-yl]-,hexanedioicacidsalt | SCHEMBL2392474 | D10945 | AKOS03023801 |
| CAS No. | 1334302-63-4 |
| PubChem CID | 67390313 |
Synthetic Route by SureRoute
2. ACJZCU556 Molecular Building Block Synthetic Route
2-(3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(1-(3-fluoro-2-(trifluoromethyl)isonicotinoyl)piperidin-4-yl)azetidin-3-yl)acetonitrile
4-((4-(1-(3-(Cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-N-(2-(4-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)piperazin-1-yl)ethyl)benzamide 2,2,2-trifluoroacetate
4-((4-(1-(3-(Cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-N-(2-(4-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)piperazin-1-yl)ethyl)benzamide