Products for Research Use Only
RegisterLogin

MRTX1133

CAT: 0931-T9303-06Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T9303-06Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2621928-55-8
Target
Ras, Kras
Related Pathways
MAPK, GPCR/G Protein
Purity
0.996
Bioactivity
MRTX1133 is a KRAS G12D inhibitor (KD=0.2 pM) that is potent, selective, and non-covalent. MRTX1133 exhibits inhibitory activity against KRAS G12D-mutated tumors, but not against KRAS wild-type tumors.
Smiles
Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2C[C@@H]3CC[C@H](C2)N3)c2c(C#C)c(F)ccc2c1
Molecular Formula
C33H31F3N6O2
Molecular Weight
600.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mrtx-1133

KRAS G12D Inhibitor MRTX1133 is an orally bioavailable reversible inhibitor of the oncogenic KRAS substitution mutation G12D, with potential antineoplastic activity. Upon oral administration, KRAS G12D inhibitor MRTX1133 specifically targets and noncovalently binds to KRAS G12D. This prevents KRAS G12D-mediated signaling and activation of downstream survival pathways. This leads to an inhibition of the growth of tumor cells that overexpress KRAS G12D. KRAS, a member of the RAS family of oncogenes, serves an important role in cell signaling, division and differentiation. Mutations of KRAS may induce constitutive signal transduction leading to tumor cell proliferation, invasion, and metastasis.

CAS Number2621928-55-8
PubChem CID156124857
IUPAC Name4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
Molecular FormulaC33H31F3N6O2
Molecular Weight600.6
XLogP5.2
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count44
Formal Charge0
Complexity1100
SMILES
C#CC1=C(C=CC2=CC(=CC(=C21)C3=NC=C4C(=C3F)N=C(N=C4N5CC6CCC(C5)N6)OC[C@@]78CCCN7C[C@@H](C8)F)O)F
InChI
InChI=1S/C33H31F3N6O2/c1-2-23-26(35)7-4-18-10-22(43)11-24(27(18)23)29-28(36)30-25(13-37-29)31(41-15-20-5-6-21(16-41)38-20)40-32(39-30)44-17-33-8-3-9-42(33)14-19(34)12-33/h1,4,7,10-11,13,19-21,38,43H,3,5-6,8-9,12,14-17H2/t19-,20?,21?,33+/m1/s1
InChIKey
SCLLZBIBSFTLIN-IFMUVJFISA-N
Chemical Structure
2D Structure
2D structure of Mrtx-1133
CAS: 2621928-55-8
CID: 156124857
Formula: C33H31F3N6O2
MW: 600.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.6
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass600.24605874
Monoisotopic Mass600.24605874
Topological Polar Surface Area86.6 Ų
Heavy Atom Count44
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
207170MRTX1133
HY-134813AMRTX1133 (formic)
MBS5798095MRTX1133 formic
A24519-10MRTX1133 10mg
A24519-5MRTX1133 5mg
A24519-1MRTX1133 1mg
A24519-50MRTX1133 50mg

Popular Products