Account rel-(3aR,5s,6aS)-N-(3-Methoxy-1,2,4-thiadiazol-5-yl)-5-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxamide
- Catalog No. :
- ACBLHR648
- CAS No. :
- 1445987-21-2
- Molecular Formula :
- C18H22N8O2S
- Molecular Weight :
- 414.49
IUPAC Name:(3aR,5s,6aS)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxamide
![rel-(3aR,5s,6aS)-N-(3-Methoxy-1,2,4-thiadiazol-5-yl)-5-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | rel-(3aR,5s,6aS)-N-(3-Methoxy-1,2,4-thiadiazol-5-yl)-5-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxamide |
|---|---|
| IUPAC Name | (3aR,5s,6aS)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxamide |
| MDL No. | MFCD32701909 |
| Molecular Formula | C18H22N8O2S |
| Molecular Weight | 414.49 |
| SMILES | CN([C@H]1C[C@@]2([H])[C@@](CN(C2)C(NC3=NC(OC)=NS3)=O)([H])C1)C4=C5C(NC=C5)=NC=N4 |
| InChI Key | DNBCBAXDWNDRNO-GDNZZTSVSA-N |
| Synonym | IVARMACITINIB [INN] | AKOS040759719 | SCHEMBL15077710 | SHR0302 | SHR-0302 | Cyclopenta(c)pyrrole-2(1H)-carboxamide, hexahydro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-(methyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)-, (3aalpha,5alpha,6aalpha)- | 1445987-21-2 | |
| CAS No. | 1445987-21-2 |
| PubChem CID | 71622431 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACBLHR648 Molecular Building Block Synthetic Route
(3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)(pyrrolidin-1-yl)methanone