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Ro 32-0432 hydrochloride

CAT: 0013-GTR19200925-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200925-01Size:25 mg
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Description
Ro 32-0432 is an orally bioavailable, ATP-competitive pan-PKC inhibitor targeting isoforms including α, βI, βII, γ, and ε. It suppresses T-cell activation, supporting research in immune and inflammatory diseases. The (S) -enantiomer hydrochloride also acts as a GRK5 inhibitor and has shown efficacy in preclinical models of nicotine withdrawal.
CAS Number
151342-35-7
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=C1C (C2=C3N (C=4C2=CC=CC4) CC[C@H] (CN (C) C) C3) =C (C (=O) N1) C=5C=6C (N (C) C5) =CC=CC6
Molecular Formula
C28H28N4O2
Molecular Weight
452.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-3-(8-((Dimethylamino)methyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-10-yl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrol-2,5-dione
CAS Number151342-35-7
PubChem CID127757
IUPAC Name3-[(8S)-8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
Molecular FormulaC28H28N4O2
Molecular Weight452.5
XLogP3.4
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity868
SMILES
CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5C[C@H](CCN5C6=CC=CC=C64)CN(C)C
InChI
InChI=1S/C28H28N4O2/c1-30(2)15-17-12-13-32-22-11-7-5-9-19(22)24(23(32)14-17)26-25(27(33)29-28(26)34)20-16-31(3)21-10-6-4-8-18(20)21/h4-11,16-17H,12-15H2,1-3H3,(H,29,33,34)/t17-/m0/s1
InChIKey
FXGHOAZJQNLNFD-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-(8-((Dimethylamino)methyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-10-yl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrol-2,5-dione
CAS: 151342-35-7
CID: 127757
Formula: C28H28N4O2
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass452.22122615
Monoisotopic Mass452.22122615
Topological Polar Surface Area59.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity868
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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