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LP99

CAT: 0804-HY-19553-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-19553-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LP99, an epigenetic probe, is a potent and selective inhibitor of the BRD7 and BRD9 bromodomains with a Kd of 99 nM against BRD9. LP99 disrupts the binding of BRD7 and BRD9 to chromatin in cells[1].
CAS Number
1808951-93-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/lp99.html
Purity
99.18
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1N(C2=CC(N(C)C(C=C3C)=O)=C3C=C2)[C@H](C4=CC=C(Cl)C=C4)[C@@H](NS(CC(C)C)(=O)=O)CC1
Molecular Formula
C26H30ClN3O4S
Molecular Weight
516.05
Precautions
H302, H315, H319, H335
References & Citations
[1]Clark PG, et al. LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor. Angew Chem Int Ed Engl. 2015 May 18;54 (21) :6217-21.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-((2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl)-2-methylpropane-1-sulfonamide
CAS Number1808951-93-0
PubChem CID91827372
IUPAC NameN-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxoquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
Molecular FormulaC26H30ClN3O4S
Molecular Weight516.1
XLogP3.5
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity939
SMILES
CC1=CC(=O)N(C2=C1C=CC(=C2)N3[C@@H]([C@H](CCC3=O)NS(=O)(=O)CC(C)C)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1
InChIKey
LVDRREOUMKACNJ-BKMJKUGQSA-N
Chemical Structure
2D Structure
2D structure of N-((2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl)-2-methylpropane-1-sulfonamide
CAS: 1808951-93-0
CID: 91827372
Formula: C26H30ClN3O4S
MW: 516.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.1
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass515.1645553
Monoisotopic Mass515.1645553
Topological Polar Surface Area95.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity939
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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