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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H30F2N6O3
Molecular Weight 560.5944
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, R

SHOW SMILES / InChI
Structure of SOTORASIB

SMILES

CC(C)C1=NC=CC(C)=C1N2C(=O)N=C(N3CCN(C[C@@H]3C)C(=O)C=C)C4=C2N=C(C(F)=C4)C5=C(F)C=CC=C5O

InChI

InChIKey=NXQKSXLFSAEQCZ-SFHVURJKSA-N
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

HIDE SMILES / InChI
Molecular Formula C30H30F2N6O3
Molecular Weight 560.5944
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

2021
470
Substance Class Chemical
Created
by admin
on Sat Dec 16 14:33:40 GMT 2023
Edited
by admin
on Sat Dec 16 14:33:40 GMT 2023
Record UNII
2B2VM6UC8G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SOTORASIB
USAN   INN  
Official Name English
SOTORASIB [JAN]
Common Name English
SOTORASIB [ORANGE BOOK]
Common Name English
sotorasib [INN]
Common Name English
KRAS MUTANT-TARGETING AMG 510
Common Name English
Sotorasib [WHO-DD]
Common Name English
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)-
Systematic Name English
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)-
Systematic Name English
AMG-510
Code English
LUMAKRAS
Brand Name English
AMG510
Code English
(1RA)-6-FLUORO-7-(2-FLUORO-6-HYDROXYPHENYL)-4-((2S)-2-METHYL-4-(1-OXOPROP-2-EN-1-YL)PIPERAZIN-1-YL)-1-(4-METHYL-2-(PROPAN-2-YL)PYRIDIN-3-YL)PYRIDO(2,3-D)PYRIMIDIN-2(1H)-ONE
Systematic Name English
(1M)-6-FLUORO-7-(2-FLUORO-6-HYDROXYPHENYL)-1-(4-METHYL-2-(PROPAN-2-YL)PYRIDIN-3-YL)-4-((2S)-2-METHYL-4-(PROP-2-ENOYL)PIPERAZIN-1-YL)PYRIDO(2,3-D)PYRIMIDIN-2(1H)-ONE
Systematic Name English
SOTORASIB [USAN]
Common Name English
6-FLUORO-7-(2-FLUORO-6-HYDROXYPHENYL)-(1M)-1-(4-METHYL-2-(PROPAN-2-YL)PYRIDIN-3-YL)-4-((2S)-2-METHYL-4-(PROP-2-ENOYL)PIPERAZIN-1-YL)PYRIDO(2,3-D)PYRIMIDIN-2(1H)-ONE
Systematic Name English
KRAS G12C INHIBITOR 9
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 654918
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
FDA ORPHAN DRUG 653818
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
Code System Code Type Description
FDA UNII
2B2VM6UC8G
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
PUBCHEM
137278711
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
CAS
2252403-56-6
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
DAILYMED
2B2VM6UC8G
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
USAN
HI-164
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
WIKIPEDIA
Sotorasib
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
CAS
2296729-00-3
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
DRUG BANK
DB15569
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
INN
11370
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
SMS_ID
100000183068
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
NCI_THESAURUS
C154287
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID001099260
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
RXCUI
2550714
Created by admin on Sat Dec 16 14:33:41 GMT 2023 , Edited by admin on Sat Dec 16 14:33:41 GMT 2023
PRIMARY
Related Record Type Details
MATE-2
TRANSPORTER -> INHIBITOR
IC50
Structure of SOTORASIB
PROTEIN ADDUCT FORMATION
POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY H MEMBER 2
OFF-TARGET->INHIBITOR
Weak Inhibitor
GTPASE KRAS G12C MUTANT
TARGET -> INHIBITOR
Selective for G12C mutant. Approved to target KRAS G12C mutations in the second-line setting.
IRREVERSIBLE INHIBITOR
IC50
MULTIDRUG AND TOXIN EXTRUSION PROTEIN 1
TRANSPORTER -> INHIBITOR
IC50
Structure of SOTORASIB
EXCRETED UNCHANGED
FECAL
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> INHIBITOR
IC50
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
Related Record Type Details
Structure of Sotorasib M18
METABOLITE LESS ACTIVE -> PARENT
IRREVERSIBLE INHIBITOR
IC50
Structure of Sotorasib M24
METABOLITE INACTIVE -> PARENT
Structure of Sotorasib M10
METABOLITE INACTIVE -> PARENT
Mediated primarily by nonenzymatic glutathione conjugation
MAJOR
Related Record Type Details
Structure of SOTORASIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
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