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COH29

CAT: 0498-bs-7139C-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-7139C-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1190932-38-7
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO, not in water
Smiles
OC1C=CC(=CC=1O)C(=O)NC1=NC(=C(S1)C1C=CC=CC=1)C1=CC(O)=C(O)C=C1
Molecular Formula
C22 H16 N2 O5 S
Molecular Weight
420.44
InChI
InChI=1S/C22H16N2O5S/c25-15-8-6-13 (10-17 (15) 27) 19-20 (12-4-2-1-3-5-12) 30-22 (23-19) 24-21 (29) 14-7-9-16 (26) 18 (28) 11-14/h1-11,25-28H, (H,23,24,29)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

Rnr inhibitor COH29

RNR Inhibitor COH29 is an orally available, aromatically substituted thiazole and inhibitor of the human ribonucleotide reductase (RNR), with potential antineoplastic activity. Upon oral administration, the RNR inhibitor COH29 binds to the ligand-binding pocket of the RNR M2 subunit (hRRM2) near the C-terminal tail. This blocks the interaction between the hRRM1 and hRRM2 subunits and interferes with the assembly of the active hRRM1/hRRM2 complex of RNR. Inhibition of RNR activity decreases the pool of deoxyribonucleotide triphosphates available for DNA synthesis. The resulting decrease in DNA synthesis causes cell cycle arrest and growth inhibition. In addition, this agent may inhibit the nuclear enzyme poly (ADP-ribose) polymerase (PARP) 1, which prevents the repair of damaged DNA, and causes both the accumulation of single and double strand DNA breaks and the induction of apoptosis. RNR, an enzyme that catalyzes the conversion of ribonucleoside diphosphate to deoxyribonucleoside diphosphate, is essential for de novo DNA synthesis and plays an important role in cell growth; it is overexpressed in many cancer cell types and is associated with increased drug resistance, cancer cell growth and metastasis.

CAS Number1190932-38-7
PubChem CID44253415
IUPAC NameN-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide
Molecular FormulaC22H16N2O5S
Molecular Weight420.4
XLogP4
Topological Polar Surface Area151
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity590
SMILES
C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C22H16N2O5S/c25-15-8-6-13(10-17(15)27)19-20(12-4-2-1-3-5-12)30-22(23-19)24-21(29)14-7-9-16(26)18(28)11-14/h1-11,25-28H,(H,23,24,29)
InChIKey
LGGDLPSXAGQFSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rnr inhibitor COH29
CAS: 1190932-38-7
CID: 44253415
Formula: C22H16N2O5S
MW: 420.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight420.4
XLogP34
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass420.07799279
Monoisotopic Mass420.07799279
Topological Polar Surface Area151 Ų
Heavy Atom Count30
Formal Charge0
Complexity590
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