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BRD2889

CAT: 0013-GTR19221261-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221261-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD2889 is a piperlongumine analog and a potent modulator of the GSTP1-ISCU axis. It is a research tool for investigating pulmonary hypertension (PH), with applications in both in vitro and in vivo studies of vascular remodeling and mitochondrial iron-sulfur cluster biogenesis.
CAS Number
1415153-39-7
Field of Research
Metabolism Research
Smiles
COc1ccc (cc1) C#CC1=CCCN (C (=O) \C=C\c2cc (OC) c (OC) c (OC) c2) C1=O
Molecular Formula
C26H25NO6
Molecular Weight
447.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[2-(4-methoxyphenyl)ethynyl]-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

LSM-4819 is an olefinic compound. It is functionally related to a cinnamic acid.

CAS Number1415153-39-7
PubChem CID89928392
IUPAC Name5-[2-(4-methoxyphenyl)ethynyl]-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
Molecular FormulaC26H25NO6
Molecular Weight447.5
XLogP4.1
Topological Polar Surface Area74.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity799
SMILES
COC1=CC=C(C=C1)C#CC2=CCCN(C2=O)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C26H25NO6/c1-30-21-12-8-18(9-13-21)7-11-20-6-5-15-27(26(20)29)24(28)14-10-19-16-22(31-2)25(33-4)23(17-19)32-3/h6,8-10,12-14,16-17H,5,15H2,1-4H3/b14-10+
InChIKey
WIOMGKDOBSQCGH-GXDHUFHOSA-N
Chemical Structure
2D Structure
2D structure of 5-[2-(4-methoxyphenyl)ethynyl]-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CAS: 1415153-39-7
CID: 89928392
Formula: C26H25NO6
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass447.16818752
Monoisotopic Mass447.16818752
Topological Polar Surface Area74.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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