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6H05 (TFA)

CAT: 0013-GTR19167709-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167709-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6H05 TFA is a selective, allosteric inhibitor targeting the oncogenic K-Ras (G12C) mutant. It is a valuable chemical probe for investigating Ras-driven tumor biology in both cellular and animal models, supporting research in oncology and targeted cancer therapy development.
CAS Number
2061344-88-3
Product Name Alternative
Ras, Inhibitor, KRAS G12C, inhibit, 6H05, 6H05 (TFA), 6H-05 (TFA), 6H05 TFA, 6H05 Trifluoroacetate, 6H05 trifluoroacetate
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery, Signal Transduction
Purity
≥95% (May vary between batches)
Solubility
DMSO:51 mg/mL (86.42 mM)
Smiles
OC (=O) C (F) (F) F.CN (C) CCSSCCNC (=O) C1CCN (CC1) C (=O) CSc1ccc (Cl) cc1
Molecular Formula
C22H31ClF3N3O4S3
Molecular Weight
590.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6H05 trifluoroacetate
CAS Number2061344-88-3
PubChem CID86208069
IUPAC Name1-[2-(4-chlorophenyl)sulfanylacetyl]-N-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
Molecular FormulaC22H31ClF3N3O4S3
Molecular Weight590.1
Topological Polar Surface Area166
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity581
SMILES
CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Cl.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C20H30ClN3O2S3.C2HF3O2/c1-23(2)12-14-29-28-13-9-22-20(26)16-7-10-24(11-8-16)19(25)15-27-18-5-3-17(21)4-6-18;3-2(4,5)1(6)7/h3-6,16H,7-15H2,1-2H3,(H,22,26);(H,6,7)
InChIKey
YNMYIJSFFJXIRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6H05 trifluoroacetate
CAS: 2061344-88-3
CID: 86208069
Formula: C22H31ClF3N3O4S3
MW: 590.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass589.1117322
Monoisotopic Mass589.1117322
Topological Polar Surface Area166 Ų
Heavy Atom Count36
Formal Charge0
Complexity581
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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