Primary record
JAB-3068
- CAS
- 2169223-48-5
- PubChem CID
- 132222602
- SMILES
- CC(=O)N1CC(C2=C1C=CC=C2SC3=NC=C(N=C3N)N4CCC5(CC4)COC[C@H]5N)(F)F
- Molecular Formula
- C22H26F2N6O2S
- Molecular Weight
- 476.553
- Exact Mass
- 476.1806
- InChI
- InChI=1S/C22H26F2N6O2S/c1-13(31)30-11-22(23,24)18-14(30)3-2-4-15(18)33-20-19(26)28-17(9-27-20)29-7-5-21(6-8-29)12-32-10-16(21)25/h2-4,9,16H,5-8,10-12,25H2,1H3,(H2,26,28)/t16-/m1/s1
- InChIKey
- HGYTYZKWKUXRKA-MRXNPFEDSA-N
- LogP
- 2.6124
- TPSA
- 110.6
Names and synonyms
- JAB-3068
- SHP2-IN-6
- JAB3068
- RefChem:150271
- Jab 3068
- SHP2 Inhibitor JAB-3068
- orb1691167
- 2169223-48-5
- CHEMBL5095185
- SCHEMBL19704279
- SCHEMBL29690263
- SCHEMBL30274766
- BBP-398
- HGYTYZKWKUXRKA-MRXNPFEDSA-N
- JAB 3068 [WHO-DD]
- JAB-3068 [WHO-DD]
- GLXC-26924
- V6Q7413SA8
- NSC827676
- AKOS040757372
- NSC-827676
- DA-77828
- HY-131132
- CS-0129188
- H26718
- (S)-1-(4-((3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl)thio)-3,3-difluoroindolin-1-yl)ethan-1-one
- 1-[4-[3-Amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-3,3-difluoro-2H-indol-1-yl]ethanone
- ETHANONE, 1-(4-((3-AMINO-5-((4S)-4-AMINO-2-OXA-8-AZASPIRO(4.5)DEC-8-YL)-2-PYRAZINYL)THIO)-3,3-DIFLUORO-2,3-DIHYDRO-1H-INDOL-1-YL)-
- (S)-1-(4-(3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-ylthio)-3,3-difluoroindolin-1-yl)ethanone