Products for Research Use Only
RegisterLogin

Kobe0065

CAT: 0013-GTR19177923-07Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19177923-07Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Kobe0065 is a novel small-molecule inhibitor of the Ras-Raf interaction, developed through structure-based drug design. It competitively inhibits H-Ras·GTP binding to c-Raf-1 RBD with a Ki of 46 ± 13 μM, making it a useful tool for in vitro studies of MAPK/ERK pathway signaling and oncogenic Ras function.
CAS Number
436133-68-5
Product Name Alternative
Inhibitor, Kobe 0065, Kobe0065, Kobe-0065, inhibit, Apoptosis, Ras-Raf, Ras
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
DMSO:20 mg/mL (44.47 mM) ; Ethanol:4.5 mg/mL (10 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.45 mM)
Smiles
Cc1ccc (NC (=S) NNc2c (cc (cc2[N+] ([O-]) =O) C (F) (F) F) [N+] ([O-]) =O) cc1Cl
Molecular Formula
C15H11ClF3N5O4S
Molecular Weight
449.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3-Chloro-4-methylphenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-hydrazinecarbothioamide
CAS Number436133-68-5
PubChem CID3827663
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[2,6-dinitro-4-(trifluoromethyl)anilino]thiourea
Molecular FormulaC15H11ClF3N5O4S
Molecular Weight449.8
XLogP5.5
Topological Polar Surface Area160
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity609
SMILES
CC1=C(C=C(C=C1)NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H11ClF3N5O4S/c1-7-2-3-9(6-10(7)16)20-14(29)22-21-13-11(23(25)26)4-8(15(17,18)19)5-12(13)24(27)28/h2-6,21H,1H3,(H2,20,22,29)
InChIKey
KSJVAYBCXSURMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Chloro-4-methylphenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-hydrazinecarbothioamide
CAS: 436133-68-5
CID: 3827663
Formula: C15H11ClF3N5O4S
MW: 449.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.8
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass449.0172372
Monoisotopic Mass449.0172372
Topological Polar Surface Area160 Ų
Heavy Atom Count29
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T1876-01Kobe0065
A13135-50Kobe0065 50mg
A13135-500Kobe0065 500mg
A13135-5Kobe0065 5mg
A13135-100Kobe0065 100mg
A13135-25Kobe0065 25mg
A13135-10Kobe0065 10mg

Popular Products