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BAY-593

CAT: 0957-E1976-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1976-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-593 is an in vivo probe and small molecule inhibitor of geranylgeranyltransferase-I (GGTase-I), blocking oncogenic YAP1/TAZ. It exhibits potent anti-tumor activity and inhibits cancer cell proliferation in vitro.
CAS Number
2413020-56-9
Target
YAP
Activity
Hippo
Molecular Formula
C26H31F3N2O3

Chemical Information

CID 149967332
CAS Number2413020-56-9
PubChem CID149967332
IUPAC Name(2R)-3,3,3-trifluoro-2-methoxy-1-[(11R)-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-phenylpropan-1-one
Molecular FormulaC26H31F3N2O3
Molecular Weight476.5
XLogP4.3
Topological Polar Surface Area50.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity689
SMILES
COC1=CC=CC=C1[C@@H]2CNCCC23CCN(CC3)C(=O)[C@](C4=CC=CC=C4)(C(F)(F)F)OC
InChI
InChI=1S/C26H31F3N2O3/c1-33-22-11-7-6-10-20(22)21-18-30-15-12-24(21)13-16-31(17-14-24)23(32)25(34-2,26(27,28)29)19-8-4-3-5-9-19/h3-11,21,30H,12-18H2,1-2H3/t21-,25+/m0/s1
InChIKey
CUNCJCWHVHIRLT-SQJMNOBHSA-N
Chemical Structure
2D Structure
2D structure of CID 149967332
CAS: 2413020-56-9
CID: 149967332
Formula: C26H31F3N2O3
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass476.22867734
Monoisotopic Mass476.22867734
Topological Polar Surface Area50.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity689
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

CatalogName
GTR19235564-01BAY-593
T201377-01BAY 593
HY-161573B-01BAY-593 (hydrochloride)
T89195-01(7S) -BAY-593
B3268-5TAK-593

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