Sotorasib | CAS No. 2296729-00-3

Sotorasib

Basic Information

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CAS Number

2296729-00-3

Molecular Formula

C30H30F2N6O3

Molecular Weight

560.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

730.5±70.0 °C(Predicted)

Density

1.36±0.1 g/cm3(Predicted)

Water Solubility

Water : 33.33 mg/mL (59.46 mM; ultrasonic and adjust pH to 11 with NaOH)

Solubility

DMSO : 100 mg/mL (178.38 mM; Need ultrasonic)|

SMILES

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C=CC(=O)N1CCN([C@H](C1)C)c1nc(=O)n(c2c1cc(F)c(n2)c1c(O)cccc1F)c1c(C)ccnc1C(C)C

InChI

InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1

InChIKey

NXQKSXLFSAEQCZ-SFHVURJKSA-N

LogP

4.481420000000004

pKa

6.52±0.35(Predicted)

Topological Polar Surface Area

104.45000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 9

Complexity

1030

Synonyms & References

English

PYRIDO[2,3-D]PYRIMIDIN-2(1H)-ONE, 6-FLUORO-7-(2-FLUORO-6-HYDROXYPHENYL)-1-[4-METHYL-2-(1-METHYLETHYL
Pyrido[2,3-d]pyrimidin-2(1H)-one, 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[4-methyl-2-(1-methylethyl)-3-pyridinyl]-4-[(2S)-2-methyl-4-(1-oxo-2-propen-1-yl)-1-piperazinyl]-, (1R)-
AMG-510(Sotorasib)
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
Storasib
CID 137278711
Pyrido[2,3-d]pyrimidin-2(1H)-one, 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[4-methyl-2-(1-methylethyl)-3-pyridinyl]-4-[(2S)-2-methyl-4-(1-oxo-2-propen-1-yl)-1-piperazinyl]-, (1R)- 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
Sotorasib
AMG510
Kras G12C inhibitor 9
2B2VM6UC8G
AMG 510
GTPL10678
BCP30452
s8830
DB15569
Pyrido(2,3-d)pyrimidin-2(1H)-one, 6-fluoro-7-(2-fluoro-6-hydroxyphenyl

MDL Number

MFCD32062763

FAQ

What is Sotorasib (CAS: 2296729-00-3)?

Sotorasib, also known as LUM-201, is a selective inhibitor of KRAS G12C, a genetic mutation found in certain cancers. It has the molecular formula C28H25FN6O3. Sotorasib is a white or off-white powder with limited solubility in water and high solubility in organic solvents.

What are the main uses of Sotorasib (CAS: 2296729-00-3)?

Sotorasib is primarily used as a therapeutic agent in the treatment of non-small cell lung cancer (NSCLC) with a specific KRAS G12C mutation. Clinical trials have demonstrated its effectiveness in this context, leading to its approval by regulatory bodies.

Is Sotorasib (CAS: 2296729-00-3) safe?

Sotorasib is considered generally safe when used under medical supervision. However, it may cause side effects such as nausea, vomiting, and diarrhea. Patients should follow medical advice and use the drug only as prescribed to minimize risks.

How should Sotorasib (CAS: 2296729-00-3) be stored?

Sotorasib should be stored in a cool, dry place away from direct sunlight and heat sources. The optimal storage temperature is between 2°C and 8°C. It should be kept in original, tightly sealed containers to maintain its efficacy and stability.