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LT052

CAT: 0804-HY-130622-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-130622-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LT052 is a highly selective BET BD1 inhibitor with an IC50 of 87.7 nM. LT052 exhibits nanomolar BRD4 BD1 potency and 138-fold selectivity over BRD4 BD2 (IC50=12.130 μM) . LT052 has anti-inflammatory activity and can be used for acute gout arthritis research[1].
CAS Number
2543545-44-2
UNSPSC
12352005
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/lt052.html
Purity
98.77
Solubility
DMSO : 10.42 mg/mL (ultrasonic)
Smiles
O=S(C1=CC=CC=C1OC)(NC2=C3N=C(N4C=C(C)N=C4)C=C5C3=C(N(C)C5=O)C=C2)=O
Molecular Formula
C22H19N5O4S
Molecular Weight
449.48
References & Citations
[1]Jiang F, et al. Discovery of Benzo[cd]indol-2 (1H) -ones and Pyrrolo[4,3,2-de]quinolin-2 (1H) -ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis. J Med Chem. 2019 Dec 26;62 (24) :11080-11107.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
BRD3; BRD4; BRDT; BRPF1

Chemical Information

2-methoxy-N-(1-methyl-4-(4-methyl-1H-imidazol-1-yl)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinolin-6-yl)benzenesulfonamide
CAS Number2543545-44-2
PubChem CID145925666
IUPAC Name2-methoxy-N-[2-methyl-6-(4-methylimidazol-1-yl)-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
Molecular FormulaC22H19N5O4S
Molecular Weight449.5
XLogP2.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity820
SMILES
CC1=CN(C=N1)C2=NC3=C(C=CC4=C3C(=C2)C(=O)N4C)NS(=O)(=O)C5=CC=CC=C5OC
InChI
InChI=1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3
InChIKey
FSMTUHGXWGJNKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-methoxy-N-(1-methyl-4-(4-methyl-1H-imidazol-1-yl)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinolin-6-yl)benzenesulfonamide
CAS: 2543545-44-2
CID: 145925666
Formula: C22H19N5O4S
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass449.11577528
Monoisotopic Mass449.11577528
Topological Polar Surface Area115 Ų
Heavy Atom Count32
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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