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BI-2865

CAT: 1410-M29653-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M29653-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BI-2865 is a none-covalent pan-KRAS Inhibitor. BI-2865 binds to WT, G12C, G12D, G12V and G13D mutant KRAS with KDs of 6.9, 4.5, 32, 26, 4.3 nM respectively.
CAS Number
2937327-93-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
465.57
Molecular Formula
C23H27N7O2S
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

CID 168268166
CAS Number2937327-93-8
PubChem CID168268166
IUPAC Name(4S)-2-amino-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
Molecular FormulaC23H27N7O2S
Molecular Weight465.6
XLogP4.1
Topological Polar Surface Area155
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity752
SMILES
C[C@@H]([C@@H]1CCCN1C)OC2=NC(=NC=C2)C3=NOC(=N3)[C@]4(CCCC5=C4C(=C(S5)N)C#N)C
InChI
InChI=1S/C23H27N7O2S/c1-13(15-6-5-11-30(15)3)31-17-8-10-26-20(27-17)21-28-22(32-29-21)23(2)9-4-7-16-18(23)14(12-24)19(25)33-16/h8,10,13,15H,4-7,9,11,25H2,1-3H3/t13-,15-,23-/m0/s1
InChIKey
MIUFORKWYHBPRW-HMFCALDFSA-N
Chemical Structure
2D Structure
2D structure of CID 168268166
CAS: 2937327-93-8
CID: 168268166
Formula: C23H27N7O2S
MW: 465.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.6
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass465.19469430
Monoisotopic Mass465.19469430
Topological Polar Surface Area155 Ų
Heavy Atom Count33
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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