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Carboxypyridostatin

CAT: 0804-HY-112680-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112680-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Carboxypyridostatin is a G-quadruplex ligand. Carboxypyridostatin has a highly molecular specificity to RNA on DNA G4s and reduces ATF-5 protein. Carboxypyridostatin reduces cell proliferation and hinders stress granule (SG) formation[1][2][3].
CAS Number
1417638-60-8
UNSPSC
12352005
Target
G-quadruplex
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/carboxypyridostatin.html
Purity
99.41
Smiles
O=C(O)CCN1N=NC(COC2=CC(C(NC3=NC4=CC=CC=C4C(OCCN)=C3)=O)=NC(C(NC5=NC6=CC=CC=C6C(OCCN)=C5)=O)=C2)=C1
Molecular Formula
C35H34N10O7
Molecular Weight
706.71
References & Citations
[1]Goldberg DC, et al. Manipulating Adult Neural Stem and Progenitor Cells with G-Quadruplex Ligands. ACS Chem Neurosci. 2020;11 (10) :1504-1518.|[2]Rocca R, et al. Molecular recognition of a carboxy pyridostatin toward G-quadruplex structures: Why does it prefer RNA? Chem Biol Drug Des. 2017 Nov;90 (5) :919-925.|[3]Turner M, et al. rG4detector, a novel RNA G-quadruplex predictor, uncovers their impact on stress granule formation. Nucleic Acids Res. 2022 Nov 11;50 (20) :11426-11441.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Carboxy-pyridostatin
CAS Number1417638-60-8
PubChem CID71768060
IUPAC Name3-[4-[[2,6-bis[[4-(2-aminoethoxy)quinolin-2-yl]carbamoyl]-4-pyridinyl]oxymethyl]triazol-1-yl]propanoic acid
Molecular FormulaC35H34N10O7
Molecular Weight706.7
XLogP-1.1
Topological Polar Surface Area245
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count16
Heavy Atom Count52
Formal Charge0
Complexity1110
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCC6=CN(N=N6)CCC(=O)O)OCCN
InChI
InChI=1S/C35H34N10O7/c36-10-13-50-29-17-31(39-25-7-3-1-5-23(25)29)41-34(48)27-15-22(52-20-21-19-45(44-43-21)12-9-33(46)47)16-28(38-27)35(49)42-32-18-30(51-14-11-37)24-6-2-4-8-26(24)40-32/h1-8,15-19H,9-14,20,36-37H2,(H,46,47)(H,39,41,48)(H,40,42,49)
InChIKey
RJTDQPSVSXRGLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carboxy-pyridostatin
CAS: 1417638-60-8
CID: 71768060
Formula: C35H34N10O7
MW: 706.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight706.7
XLogP3-1.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count16
Exact Mass706.26119346
Monoisotopic Mass706.26119346
Topological Polar Surface Area245 Ų
Heavy Atom Count52
Formal Charge0
Complexity1110
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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