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KRH102053

CAT: 0013-GTR19208494-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208494-02Size:50 mg
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Description
KRH102053 is a HIF-1α inhibitor that reduces HIF-1α protein and its target gene expression, including VEGF. This action leads to the inhibition of cancer cell migration, invasion, and angiogenesis in vitro, making it a useful research tool for studying hypoxia pathways in oncology and vascular biology.
CAS Number
1353254-53-1
Smiles
O (C) C1C=2C (OC (C) (C) C1OC (C (CCSC) N) =O) =CC=C (NCC3=CC=C (OC) C=C3) C2
Molecular Formula
C25H34N2O5S
Molecular Weight
474.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[4-Methoxy-6-[(4-methoxyphenyl)methylamino]-2,2-dimethyl-3,4-dihydrochromen-3-yl] 2-amino-4-methylsulfanylbutanoate
CAS Number1353254-53-1
PubChem CID154730698
IUPAC Name[4-methoxy-6-[(4-methoxyphenyl)methylamino]-2,2-dimethyl-3,4-dihydrochromen-3-yl] 2-amino-4-methylsulfanylbutanoate
Molecular FormulaC25H34N2O5S
Molecular Weight474.6
XLogP3.5
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity614
SMILES
CC1(C(C(C2=C(O1)C=CC(=C2)NCC3=CC=C(C=C3)OC)OC)OC(=O)C(CCSC)N)C
InChI
InChI=1S/C25H34N2O5S/c1-25(2)23(31-24(28)20(26)12-13-33-5)22(30-4)19-14-17(8-11-21(19)32-25)27-15-16-6-9-18(29-3)10-7-16/h6-11,14,20,22-23,27H,12-13,15,26H2,1-5H3
InChIKey
YRALDHSTDKVSML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-Methoxy-6-[(4-methoxyphenyl)methylamino]-2,2-dimethyl-3,4-dihydrochromen-3-yl] 2-amino-4-methylsulfanylbutanoate
CAS: 1353254-53-1
CID: 154730698
Formula: C25H34N2O5S
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass474.21884336
Monoisotopic Mass474.21884336
Topological Polar Surface Area117 Ų
Heavy Atom Count33
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T70903-01KRH102053

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