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K-Ras inhibitor

K-Ras inhibitor structure

CAS No:
1469338-01-9
Formula:
C20H30ClN3O2S3.CF3COOH
Chemical Name:
K-Ras inhibitor
Synonyms:
6H05/K-Ras inhibitor;1-[2-[(4-Chlorophenyl)thio]acetyl]-N-[2-[[2-(dimethylamino)ethyl]dithio]ethyl]-4-piperidinecarboxamide;6H05 trifluoroacetate;K-Ras inhibitor;6H05;1-[2-[(4-chlorophenyl)thio]acetyl]-N-[2-[[2-(dimethylamino)ethyl]dithio]ethyl]-4-piperidinecarboxamide,2,2,2-trifluoroacetate (1:1);6H05 trifluoroacetate1469338-01-9(free base)
Categories:
Biochemical Engineering > Inhibitors

Description

6H05 is a selective, and allosteric inhibitor of oncogenic mutant K-Ras(G12C). IC50 value:Target: K-Ras G12C6H05 gives the greatest degree of modification, which allosterically modifies the oncogenic G12C mutant of highly homologous protein H-Ras without affecting wild-type K-Ras [1]. 6H05 can be used as an intermediate for the synthesis of other oncogenic K-Ras(G12C) inhibitors [2].

K-Ras inhibitor Basic Attributes

Molecular Weight：

476.1

Exact Mass：

475.1188684

Characteristics

XLogP3：

5.65

Density：

1.29±0.1 g/cm3(Predicted)

Boiling Point：

669.3±55.0 °C(Predicted)

Flash Point：

398.6±35.7 °C

Refractive Index：

1.752

Computed Properties

Molecular Weight:476.1
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:475.1188684
Monoisotopic Mass:475.1188684
Topological Polar Surface Area:129
Heavy Atom Count:29
Complexity:497
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes