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MRTX1257

CAT: 1410-M13517-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M13517-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MRTX1257 (MRTX-1257, MRTX 1257) is a potent, selective, covalent and irreversible inhibitor of KRAS G12C.
CAS Number
2206736-04-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
565.722
Molecular Formula
C33H39N7O2
Notes
Research use only, not for human use.
Receptor
Ras

Chemical Information

2-((S)-1-Acryloyl-4-(7-(8-methylnaphthalen-1-yl)-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazin-2-yl)acetonitrile
CAS Number2206736-04-9
PubChem CID134326084
IUPAC Name2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
Molecular FormulaC33H39N7O2
Molecular Weight565.7
XLogP4.5
Topological Polar Surface Area88.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity1000
SMILES
CC1=C2C(=CC=C1)C=CC=C2N3CCC4=C(C3)N=C(N=C4N5CCN([C@H](C5)CC#N)C(=O)C=C)OC[C@@H]6CCCN6C
InChI
InChI=1S/C33H39N7O2/c1-4-30(41)40-19-18-39(20-25(40)13-15-34)32-27-14-17-38(29-12-6-10-24-9-5-8-23(2)31(24)29)21-28(27)35-33(36-32)42-22-26-11-7-16-37(26)3/h4-6,8-10,12,25-26H,1,7,11,13-14,16-22H2,2-3H3/t25-,26-/m0/s1
InChIKey
YRYQLVCTQFBRLD-UIOOFZCWSA-N
Chemical Structure
2D Structure
2D structure of 2-((S)-1-Acryloyl-4-(7-(8-methylnaphthalen-1-yl)-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazin-2-yl)acetonitrile
CAS: 2206736-04-9
CID: 134326084
Formula: C33H39N7O2
MW: 565.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.7
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass565.31652351
Monoisotopic Mass565.31652351
Topological Polar Surface Area88.8 Ų
Heavy Atom Count42
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3842198-01MRTX1257
A17223-1MRTX1257 1mg
A17223-25MRTX1257 25mg
A17223-10MRTX1257 10mg
A17223-100MRTX1257 100mg
A17223-50MRTX1257 50mg
A17223-5MRTX1257 5mg
A17223-2MRTX1257 2mg
A17223-10mM-DMRTX1257 10mM * 1mL in DMSO

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