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HH0043

CAT: 0013-GTR19236269-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236269-02Size:50 mg
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Description
HH0043 (Compound 10f) is a potent, orally bioavailable SOS1 inhibitor with an IC50 of 5.8 nM. It is a valuable research tool for investigating KRAS-driven cancers in both cellular assays and animal models.
CAS Number
2922069-42-7
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
N ([C@H] (C) C1=C (F) C (C (F) F) =CC=C1) C=2C3=C (C=NC (=C3) N4CCN (C (C) =O) CC4) N=CC2
Molecular Formula
C23H24F3N5O
Molecular Weight
443.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 169683224
CAS Number2922069-42-7
PubChem CID169683224
IUPAC Name1-[4-[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-1,7-naphthyridin-6-yl]piperazin-1-yl]ethanone
Molecular FormulaC23H24F3N5O
Molecular Weight443.5
XLogP3.4
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity633
SMILES
C[C@H](C1=C(C(=CC=C1)C(F)F)F)NC2=C3C=C(N=CC3=NC=C2)N4CCN(CC4)C(=O)C
InChI
InChI=1S/C23H24F3N5O/c1-14(16-4-3-5-17(22(16)24)23(25)26)29-19-6-7-27-20-13-28-21(12-18(19)20)31-10-8-30(9-11-31)15(2)32/h3-7,12-14,23H,8-11H2,1-2H3,(H,27,29)/t14-/m1/s1
InChIKey
GSZLBBQYAQRWAD-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of CID 169683224
CAS: 2922069-42-7
CID: 169683224
Formula: C23H24F3N5O
MW: 443.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass443.19329489
Monoisotopic Mass443.19329489
Topological Polar Surface Area61.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T88773-01HH0043

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