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Darlifarnib

CAT: 0013-GTR19258593-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258593-02Size:50 mg
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Description
Darlifarnib (Compound (S) -058) is an inhibitor of farnesyl transferase and geranylgeranyltransferase, with IC50 values of ≤ 10 nM and > 1000 nM, respectively. It exhibits high metabolic stability in human and mouse liver microsomes, with a half-life of over 100 minutes.
CAS Number
2939824-30-1
Field of Research
Metabolism Research
Smiles
N#CC=1N=C2C=CC3=CC2=C (C1) C=4C=CC=C (OCC5=CC (=CC=C5C#N) C3 (N) C6=CN=CN6C) C4
Molecular Formula
C29H20N6O
Molecular Weight
468.509
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

14-Amino-14-(3-methylimidazol-4-yl)-7-oxa-19-azapentacyclo[13.6.2.12,6.19,13.018,22]pentacosa-1(22),2(25),3,5,9,11,13(24),15(23),16,18,20-undecaene-10,20-dicarbonitrile
CAS Number2939824-30-1
PubChem CID169292129
IUPAC Name14-amino-14-(3-methylimidazol-4-yl)-7-oxa-19-azapentacyclo[13.6.2.12,6.19,13.018,22]pentacosa-1(22),2(25),3,5,9,11,13(24),15(23),16,18,20-undecaene-10,20-dicarbonitrile
Molecular FormulaC29H20N6O
Molecular Weight468.5
XLogP3.3
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count36
Formal Charge0
Complexity908
SMILES
CN1C=NC=C1C2(C3=CC(=C(C=C3)C#N)COC4=CC=CC(=C4)C5=C6C=C2C=CC6=NC(=C5)C#N)N
InChI
InChI=1S/C29H20N6O/c1-35-17-33-15-28(35)29(32)21-6-5-19(13-30)20(9-21)16-36-24-4-2-3-18(10-24)25-12-23(14-31)34-27-8-7-22(29)11-26(25)27/h2-12,15,17H,16,32H2,1H3
InChIKey
GWKGWWBQKOIPNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 14-Amino-14-(3-methylimidazol-4-yl)-7-oxa-19-azapentacyclo[13.6.2.12,6.19,13.018,22]pentacosa-1(22),2(25),3,5,9,11,13(24),15(23),16,18,20-undecaene-10,20-dicarbonitrile
CAS: 2939824-30-1
CID: 169292129
Formula: C29H20N6O
MW: 468.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass468.16985928
Monoisotopic Mass468.16985928
Topological Polar Surface Area114 Ų
Heavy Atom Count36
Formal Charge0
Complexity908
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-172423Darlifarnib

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