Jak-IN-1
Basic information
- CAS
1334673-53-8- Standard SMILES
CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CC(C#N)C1- InChIKey
SIEMFXMJGAMFQR-INIZCTEOSA-N- Molecular formula
- C20H24N6O2
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.19607403
Names & identifiers
- Preferred name
- Jak-IN-1
- IUPAC
- N-[(2R)-1-(3-cyanoazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
- English name
- 5H-Pyrrolo[2,3-b]pyrazine-7-carboxaMide, N-[(1R)-1- [(3-cyano-1-azetidinyl)carbonyl]-2,2-diMethylpropyl]-2-cyclopropyl-
- Molecular formula
- C20H24N6O2
- Molecular weight
- 380.44356
Names & synonyms
JAK-IN-11334673-53-8CHEMBL2325895N-[(2R)-1-(3-cyanoazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamideorb1709379SCHEMBL2378922DTXSID401352038GLXC-23448BDBM50426601AKOS0407334825H-Pyrrolo[2,3-b]pyrazine-7-carboxamide, N-[(1R)-1-[(3-cyano-1-azetidinyl)carbonyl]-2,2-dimethylpropyl]-2-cyclopropyl-DA-54509
Show more names
JAK IN 1,JAKIN15H-Pyrrolo[2,3-b]pyrazine-7-carboxaMide, N-[(1R)-1- [(3-cyano-1-azetidinyl)carbonyl]-2,2-diMethylpropyl]-2-cyclopropyl-
HY-13827MS-26226CS-0007959G14454T11703N-[(2R)-1-(3-Cyano-1-azetidinyl)-3,3-dimethyl-1-oxo-2-butanyl]-2-cyclopropyl-4H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Database identifiers
- CAS
1334673-53-8- PubChem CID
- 54589404
- DTXSID
DTXSID401352038- ChEMBL
CHEMBL2325895
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 685
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
DescriptionJAK-IN-1 is a novel potent JAK1/2/3 inhibitor.
UsesJAK-IN-1 is a JAK1/2/3 inhibitor with IC50s of 0.26, 0.8 and 3.2 nM, respectively. JAK-IN-1 shows improved selectivity for JAK3 over JAK1.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…