Ada­gra­sib CAS 2326521-71-3

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Iden­ti­fi­ca­tion

CAS Number

2326521-71-3

Name

Ada­gra­sib

Syn­onyms

[(2S)-4-[7-(8-Chlor-1-naphthyl)-2-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoracryloyl)-2-piperazinyl]acetonitril [Ger­man] [ACD/IUPAC Name]

[(2S)-4-[7-(8-Chloro-1-naphthyl)-2-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroacryloyl)-2-piperazinyl]acetonitrile [ACD/IUPAC Name]

[(2S)-4-[7-(8-Chloro-1-naphtyl)-2-{[(2S)-1-méthyl-2-pyrrolidinyl]méthoxy}-5,6,7,8-tétrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroacryloyl)-2-pipérazinyl]acétonitrile [French] [ACD/IUPAC Name]

2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile

2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile

2326521-71-3 

2-Piper­azineace­­toni­trile, 4-[7-(8-chloro-1-naphthalenyl)-5,6,7,8-tetrahydro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoro-1-oxo-2-propen-1-yl)-, (2S)- [ACD/​Index Name]

MRTX-849

(2S)-4-[7-(8-chloro-1-naphthalenyl)-5,6,7,8-tetrahydro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoro-1-oxo-2-propen-1-yl)-2-piperazineacetonitrile

2-((S)-4-(7-(8-Chloronaphthalen-1-yl)-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-(2-fluoroacryloyl)piperazin-2-yl)acetonitrile

BS-16211

KRAS

MRTX849

SMILES

CN1CCC[C@H]1COC1N=C2CN(CCC2=C(N=1)N1C[C@H](CC#N)N(CC1)C(=O)C(=C)F)C1=CC=CC2=CC=CC(Cl)=C21

Std­InChI

InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1

Std­InChIKey

PEMUGDM­­SUDYL­HU-ZEQR­L­­ZLVSA-N

Mol­e­c­u­lar Formula

C₃₂H₃₅ClFN₇O₂

Mol­e­c­u­lar Weight

604.117

MDL Number

MFCD32263433

Prop­er­ties

Safe­ty Data

Sym­bol

GHS07

Sig­nal Word

Warn­ing

Haz­ard statements

Pre­cau­tion­ary Statements

WGK Germany

3

MSDS Download

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our 

Iden­ti­fi­ca­tion Methods

Known Appli­ca­tion

MRTX-849, known as ada­gra­sib in Chi­nese and ada­gra­sib in Eng­lish, is a muta­­tion-selec­­tive KRAS 12C cova­lent inhibitor with poten­tial anti-tumor activ­i­ty.
The cys­teine 12 residue in the MRTX-849 mol­e­c­u­lar struc­ture cova­lent­ly binds to KRAS G12C, lock­ing the pro­tein in an inac­tive GDP-bind­ing con­for­ma­tion and inhibit­ing KRAS-depen­­dent sig­nal transduction. 

Indi­ca­tions
MRTX-849 is indi­cat­ed for the treat­ment of adult patients with KRAS­G12C-mutant local­ly advanced or metasta­t­ic non-small cell lung can­cer (NSCLC) who have received at least 1 pri­or sys­temic therapy.

Gen­er­al View of Documents

Links

This prod­uct is devel­oped by our R&D com­pa­ny Wat­son­noke Sci­en­tif­ic Lim­it­ed (http://​www​.wat​son​noke​.com/).

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