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KRAS inhibitor-3

CAT: 0013-GTR19212631-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212631-01Size:25 mg
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Description
KRAS inhibitor-3 is a potent small molecule that binds with high affinity to both wild-type and multiple mutant KRAS proteins, including G12C, G12D, and Q61H. It disrupts the KRAS-Raf interaction and is a valuable tool for in vitro and in vivo studies targeting KRAS-driven cancers.
CAS Number
900897-56-5
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
Cc1nn2c (cc (nc2c1-c1ccccc1) -c1ccccc1) N1CCN (CCO) CC1
Molecular Formula
C25H27N5O
Molecular Weight
413.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[4-(2-Methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol
CAS Number900897-56-5
PubChem CID4903596
IUPAC Name2-[4-(2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol
Molecular FormulaC25H27N5O
Molecular Weight413.5
XLogP3.6
Topological Polar Surface Area56.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity556
SMILES
CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C4=CC=CC=C4)N5CCN(CC5)CCO
InChI
InChI=1S/C25H27N5O/c1-19-24(21-10-6-3-7-11-21)25-26-22(20-8-4-2-5-9-20)18-23(30(25)27-19)29-14-12-28(13-15-29)16-17-31/h2-11,18,31H,12-17H2,1H3
InChIKey
MTHOJIJARWDIJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-(2-Methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol
CAS: 900897-56-5
CID: 4903596
Formula: C25H27N5O
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass413.22156050
Monoisotopic Mass413.22156050
Topological Polar Surface Area56.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity556
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

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Alternative Products

CatalogName
HY-122914-01KRAS inhibitor-3
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T72394-01KRAS G12D inhibitor 3
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A13018-5KRas G12C inhibitor 3 5mg
A13018-25KRas G12C inhibitor 3 25mg
A13018-10KRas G12C inhibitor 3 10mg

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