Chemical Compound

Simurosertib

CAS Registry Number 1330782-76-7
Simurosertib chemical structure
Primary Record

Simurosertib

In stock
1,035 g
Purity
98.9 %
CAS
1330782-76-7

Compound Identifiers & Properties

CAS
1330782-76-7
PubChem CID
135564531
SMILES
CC1=C(C=NN1)C2=CC3=C(S2)C(=O)NC(=N3)[C@@H]4CC5CCN4CC5
Canonical SMILES
Cc1[nH]ncc1-c1cc2nc([C@@H]3CC4CCN3CC4)[nH]c(=O)c2s1

Names & Synonyms

  • Simurosertib
  • TAK-931
  • simurosertibum
  • Simurosertib [USAN]
  • 1330782-76-7
  • Tak 931
  • LST350G3XU
  • TAK931F
  • UNII-LST350G3XU
  • RefChem:183134
  • Simurosertib (USAN/INN)
  • SIMUROSERTIB [INN]
  • TAK931
  • Simurosertib (TAK-931)?
  • SIMUROSERTIB [WHO-DD]
  • C17H19N5OS
  • orb1309184
  • CHEMBL4297644
  • SCHEMBL12459022
  • SCHEMBL19410618
  • GTPL10317
  • CHEBI:233316
  • WHO 11008
  • XGVXKJKTISMIOW-ZDUSSCGKSA-N
  • GLXC-20157
  • EX-A2702
  • BDBM50506350
  • MFCD30802281
  • ZB1533
  • AKOS040736357
  • example 108 [US9655900B2]
  • AC-36305
  • MS-25218
  • Cell Division Cycle 7 Inhibitor TAK-931
  • HY-100888
  • CS-0020550
  • D12176
  • F90328
  • 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
  • A936356
  • Thieno(3,2-d)pyrimidin-4(3H)-one, 2-(2S)-1-azabicyclo(2.2.2)oct-2-yl-6-(3-methyl-1H-pyrazol-4-yl)-
  • (S)-6-(3-methyl-1H-pyrazol-4-yl)-2-(quinuclidin-2-yl)thieno[3,2-d]pyrimidin-4(1H)-one
  • (S)-6-(3-methyl-1H-pyrazol-4-yl)-2-(quinuclidin-2-yl)thieno[3,2-d]pyrimidin-4(3H)-one
  • 2-((2S)-1-AZABICYCLO(2.2.2)OCT-2-YL)-6-(3-METHYL-1H-PYRAZOL-4-YL)THIENO(3,2-D)PYRIMIDIN-4(3H)-ONE
  • 2-((2S)-1-azabicyclo(2.2.2)octan-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno(3,2-d)pyrimidin-4-one
  • 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one
  • 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-quinuclidin-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one
  • 2-[(2S)-1-azabicyclo[2.2.2]oct-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4 (3H)-one
  • 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(3-methyl-1H-pyrazol-4-yl)-1H,4H-thieno[3,2-d]pyrimidin-4-one
  • 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(3-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
  • O1V