Products for Research Use Only
RegisterLogin

Pan-KRAS ligand 1

CAT: 0931-T201535-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T201535-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2886012-31-1
Target
Ras, Ligands for Target Protein for PROTAC
Related Pathways
MAPK, PROTAC, GPCR/G Protein
Bioactivity
Pan-KRAS Ligand 1 serves as a ligand for the target protein of PROTAC (Ligand for Target Protein for PROTAC) . This compound facilitates the synthesis of PROTAC Pan-KRAS Degrader 4.
Smiles
O=CCOC1=NC2=C(F)C(=NC=C2C(=N1)N3CC4N(C(=O)OC(C)(C)C)C(C3)CC4)C=5C=C(O)C=C6C=CC(F)=C(C#C)C65
Molecular Formula
C32H29F2N5O5
Molecular Weight
601.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tert-butyl 3-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(2-oxoethoxy)pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CAS Number2886012-31-1
PubChem CID166535709
IUPAC Nametert-butyl 3-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(2-oxoethoxy)pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
Molecular FormulaC32H29F2N5O5
Molecular Weight601.6
XLogP5
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity1100
SMILES
CC(C)(C)OC(=O)N1C2CCC1CN(C2)C3=NC(=NC4=C(C(=NC=C43)C5=C6C(=CC(=C5)O)C=CC(=C6C#C)F)F)OCC=O
InChI
InChI=1S/C32H29F2N5O5/c1-5-21-24(33)9-6-17-12-20(41)13-22(25(17)21)27-26(34)28-23(14-35-27)29(37-30(36-28)43-11-10-40)38-15-18-7-8-19(16-38)39(18)31(42)44-32(2,3)4/h1,6,9-10,12-14,18-19,41H,7-8,11,15-16H2,2-4H3
InChIKey
CQTRLLWMVSTQCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 3-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(2-oxoethoxy)pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CAS: 2886012-31-1
CID: 166535709
Formula: C32H29F2N5O5
MW: 601.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight601.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass601.21367537
Monoisotopic Mass601.21367537
Topological Polar Surface Area118 Ų
Heavy Atom Count44
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T211173-01Pan-KRAS ligand 3
T200566-01Pan-KRAS degrader 1
T209689-01Pan-KRAS-IN-10
T205570-01Pan-KRAS-IN-17
T79800-01Pan-KRAS-IN-2
T79799-01Pan-KRAS-IN-4
T9184-01Pan-KRAS-IN-16
T209794-01Pan-KRAS-IN-13
T88001-01Pan-KRAS-IN-6
T87101-01Pan-KRAS-IN-5

Alternative Products

CatalogName
HY-168671Pan-KRAS ligand 1
HY-176490Pan-KRAS ligand 3
GTR19238873-01KRAS ligand 5
HY-161234KRAS ligand 3
GTR19261988-01KRAS ligand 4
HY-168700KRAS G12D ligand-2
GTR19265379-01KRAS G12C Ligand-Linker Conjugates 1
HY-175860KRAS G12D ligand-Linker Conjugate 2
MBS9020538-01Recombinant Pan troglodytes Slit guidance ligand 3 (SLIT3), partial
BA3144-10pan-KRAS-IN-5

Popular Products