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RN983

CAT: 0013-GTR19192893-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192893-01Size:50 mg
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Description
RN983 is a highly potent and selective small molecule inhibitor of Bruton's tyrosine kinase (BTK) . It is a valuable research tool for investigating B-cell signaling pathways and has demonstrated utility in both in vitro biochemical assays and in vivo models of autoimmune and inflammatory diseases.
CAS Number
1423129-83-2
Smiles
C (O) C1=C (N=CC=C1C=2C=C (NC3=CC=C (C=N3) C4CCN (C) CC4) C (=O) N (C) N2) N5C (=O) C=6C (C=N5) =CC (C (C) (C) C) =CC6F
Molecular Formula
C34H37FN8O3
Molecular Weight
624.71
Storage Conditions
-20°C
Notes
For research use only.

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

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