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RN983

CAT: 0804-HY-117628Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-117628Size:1 Each
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Description
RN983 (Compound 1) is a highly selective Bruton's tyrosine kinase (Btk) inhibitor. RN983 inhibits IgG production in B-cells with an IC50 of 2.5 nM and PGD2 production from mast cells with an IC50 of 8.3 nM. RN983 is promising for research of asthma and other allergic diseases[1].
CAS Number
1423129-83-2
UNSPSC
12352005
Target
Btk
Related Pathways
Protein Tyrosine Kinase/RTK
Field of Research
Inflammation/Immunology
Smiles
O=C1C(NC2=NC=C(C3CCN(CC3)C)C=C2)=CC(C4=C(CO)C(N5N=CC6=C(C5=O)C(F)=CC(C(C)(C)C)=C6)=NC=C4)=NN1C
Molecular Formula
C34H37FN8O3
Molecular Weight
624.71
References & Citations
[1]Phillips JE, et al. Btk Inhibitor RN983 Delivered by Dry Powder Nose-only Aerosol Inhalation Inhibits Bronchoconstriction and Pulmonary Inflammation in the Ovalbumin Allergic Mouse Model of Asthma. J Aerosol Med Pulm Drug Deliv. 2016 Jun;29 (3) :233-41.|[2]Raman Mahadevan Iyer, et al. Inhibitors of bruton's tyrosine kinase. WO2014083026A1. 2014-06-05.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-~{tert}-Butyl-8-Fluoranyl-2-[3-(Hydroxymethyl)-4-[1-Methyl-5-[[5-(1-Methylpiperidin-4-Yl)pyridin-2-Yl]amino]-6-Oxidanylidene-Pyridazin-3-Yl]pyridin-2-Yl]phthalazin-1-One
CAS Number1423129-83-2
PubChem CID71257642
IUPAC Name6-tert-butyl-8-fluoro-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]phthalazin-1-one
Molecular FormulaC34H37FN8O3
Molecular Weight624.7
XLogP3.7
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count46
Formal Charge0
Complexity1230
SMILES
CC(C)(C)C1=CC2=C(C(=C1)F)C(=O)N(N=C2)C3=NC=CC(=C3CO)C4=NN(C(=O)C(=C4)NC5=NC=C(C=C5)C6CCN(CC6)C)C
InChI
InChI=1S/C34H37FN8O3/c1-34(2,3)23-14-22-18-38-43(33(46)30(22)26(35)15-23)31-25(19-44)24(8-11-36-31)27-16-28(32(45)42(5)40-27)39-29-7-6-21(17-37-29)20-9-12-41(4)13-10-20/h6-8,11,14-18,20,44H,9-10,12-13,19H2,1-5H3,(H,37,39)
InChIKey
YPYHTXOIYCWSMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-~{tert}-Butyl-8-Fluoranyl-2-[3-(Hydroxymethyl)-4-[1-Methyl-5-[[5-(1-Methylpiperidin-4-Yl)pyridin-2-Yl]amino]-6-Oxidanylidene-Pyridazin-3-Yl]pyridin-2-Yl]phthalazin-1-One
CAS: 1423129-83-2
CID: 71257642
Formula: C34H37FN8O3
MW: 624.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.7
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass624.29726523
Monoisotopic Mass624.29726523
Topological Polar Surface Area127 Ų
Heavy Atom Count46
Formal Charge0
Complexity1230
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

Alternative Products

CatalogName
GTR19192893-01RN983

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