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Pan-KRAS degrader 1

CAT: 0013-GTR19238805-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238805-01Size:1 mg
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Description
Pan-KRAS degrader 1 (Compound 1) is a broad-spectrum KRAS degrader with a Ki of 25 nM against KRASG12V, as measured by SPR. It demonstrates antitumor activity, making it a valuable tool for in vitro and in vivo research targeting oncogenic KRAS-driven cancers.
CAS Number
2937327-83-6
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Purity
99.67% (May vary between batches)
Smiles
C[C@]1 (C2=C (SC (N) =C2C#N) CCC1) C3=NC (=NO3) C4=NC (=NC=C4) N5[C@@H] (C) CNCCC5
Molecular Formula
C22H26N8OS
Molecular Weight
450.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

pan-KRAS degrader 1
CAS Number2937327-83-6
PubChem CID168909406
IUPAC Name(4S)-2-amino-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
Molecular FormulaC22H26N8OS
Molecular Weight450.6
XLogP3.4
Topological Polar Surface Area158
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity719
SMILES
C[C@H]1CNCCCN1C2=NC=CC(=N2)C3=NOC(=N3)[C@]4(CCCC5=C4C(=C(S5)N)C#N)C
InChI
InChI=1S/C22H26N8OS/c1-13-12-25-8-4-10-30(13)21-26-9-6-15(27-21)19-28-20(31-29-19)22(2)7-3-5-16-17(22)14(11-23)18(24)32-16/h6,9,13,25H,3-5,7-8,10,12,24H2,1-2H3/t13-,22-/m0/s1
InChIKey
ITTALXOYNGAVCQ-XMHCIUCPSA-N
Chemical Structure
2D Structure
2D structure of pan-KRAS degrader 1
CAS: 2937327-83-6
CID: 168909406
Formula: C22H26N8OS
MW: 450.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.6
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass450.19502866
Monoisotopic Mass450.19502866
Topological Polar Surface Area158 Ų
Heavy Atom Count32
Formal Charge0
Complexity719
Isotope Atom Count0
Defined Atom Stereocenter Count2
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

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T211239-01PROTAC pan-KRAS degrader-1
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HY-W999529KRAS G12C degrader-2
T209045-01PROTAC KRAS G12D degrader 2
T87266-01PROTAC KRAS G12C degrader-2
HY-139186-01PROTAC KRAS G12C degrader-1
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