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PAT-505

CAT: 0013-GTR19205204-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205204-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PAT-505 is a potent and selective orally bioavailable small molecule inhibitor of autologous epidermal growth factor. It demonstrates nanomolar inhibitory activity in cellular (Hep3B, IC50 2 nM) and species-specific plasma assays, supporting its utility for in vitro and in vivo pharmacological research in oncology and related fields.
CAS Number
1782070-22-7
Field of Research
Cardiovascular Research, Metabolism Research, Signal Transduction
Purity
98.84% (May vary between batches)
Smiles
CCn1cc (cn1) -n1c (C2CC2) c (Sc2cccc (C (O) =O) c2F) c2ccc (Cl) c (F) c12
Molecular Formula
C23H18ClF2N3O2S
Molecular Weight
473.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pat-505
CAS Number1782070-22-7
PubChem CID118094189
IUPAC Name3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorobenzoic acid
Molecular FormulaC23H18ClF2N3O2S
Molecular Weight473.9
XLogP5.3
Topological Polar Surface Area85.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity704
SMILES
CCN1C=C(C=N1)N2C(=C(C3=C2C(=C(C=C3)Cl)F)SC4=CC=CC(=C4F)C(=O)O)C5CC5
InChI
InChI=1S/C23H18ClF2N3O2S/c1-2-28-11-13(10-27-28)29-20(12-6-7-12)22(15-8-9-16(24)19(26)21(15)29)32-17-5-3-4-14(18(17)25)23(30)31/h3-5,8-12H,2,6-7H2,1H3,(H,30,31)
InChIKey
BQMMCRXYIIKAOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pat-505
CAS: 1782070-22-7
CID: 118094189
Formula: C23H18ClF2N3O2S
MW: 473.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.9
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass473.0776320
Monoisotopic Mass473.0776320
Topological Polar Surface Area85.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity704
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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