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RTRD01

CAT: 0013-GTR19219223-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219223-02Size:5 mg
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Description
RTRD01 is a small molecule ligand that selectively binds the RRM1 and RRM2 domains of TDP-43 (Kd = 89 μM) and can partially disrupt its interaction with c9orf72 hexanucleotide RNA repeats. This compound is a useful research tool for investigating TDP-43 pathology in models of neurodegenerative diseases like ALS and FTD.
CAS Number
1332175-56-0
Purity
99.44% (May vary between batches)
Smiles
O=C (N) C=1N=C (C=NC1) N2CCCC (CO) (CC3=CC=C (F) C=C3) C2
Molecular Formula
C18H21FN4O2
Molecular Weight
344.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(3-(4-Fluorobenzyl)-3-(hydroxymethyl)piperidin-1-yl)pyrazine-2-carboxamide

RTRD01 is an organic molecular entity.

CAS Number1332175-56-0
PubChem CID56739767
IUPAC Name6-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxamide
Molecular FormulaC18H21FN4O2
Molecular Weight344.4
XLogP1.4
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity458
SMILES
C1CC(CN(C1)C2=NC(=CN=C2)C(=O)N)(CC3=CC=C(C=C3)F)CO
InChI
InChI=1S/C18H21FN4O2/c19-14-4-2-13(3-5-14)8-18(12-24)6-1-7-23(11-18)16-10-21-9-15(22-16)17(20)25/h2-5,9-10,24H,1,6-8,11-12H2,(H2,20,25)
InChIKey
MCTLSQYQBQKNRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(3-(4-Fluorobenzyl)-3-(hydroxymethyl)piperidin-1-yl)pyrazine-2-carboxamide
CAS: 1332175-56-0
CID: 56739767
Formula: C18H21FN4O2
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass344.16485409
Monoisotopic Mass344.16485409
Topological Polar Surface Area92.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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