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PYZD-4409

CAT: 0931-T16699-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T16699-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
423148-78-1
Target
E1/E2/E3 Enzyme
Related Pathways
Ubiquitination
Purity
0.9971
Bioactivity
PYZD-4409 is a selective UBA1 inhibitor with an IC50 of 20 μM. PYZD-4409 induces cell death in malignant cells and is preferentially cytotoxic to malignant cells over normal hematopoietic cells.
Smiles
[O-][N+](=O)c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(F)c(Cl)c2)o1
Molecular Formula
C14H7ClFN3O5
Molecular Weight
351.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(3-Chloro-4-fluorophenyl)-4-[(5-nitro-2-furyl)methylene]-3,5-pyrazolidinedione
CAS Number423148-78-1
PubChem CID60111983
IUPAC Name(4Z)-1-(3-chloro-4-fluorophenyl)-4-[(5-nitrofuran-2-yl)methylidene]pyrazolidine-3,5-dione
Molecular FormulaC14H7ClFN3O5
Molecular Weight351.67
XLogP2.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity595
SMILES
C1=CC(=C(C=C1N2C(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=O)N2)Cl)F
InChI
InChI=1S/C14H7ClFN3O5/c15-10-5-7(1-3-11(10)16)18-14(21)9(13(20)17-18)6-8-2-4-12(24-8)19(22)23/h1-6H,(H,17,20)/b9-6-
InChIKey
MSYMKEYWUWVZQY-TWGQIWQCSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Chloro-4-fluorophenyl)-4-[(5-nitro-2-furyl)methylene]-3,5-pyrazolidinedione
CAS: 423148-78-1
CID: 60111983
Formula: C14H7ClFN3O5
MW: 351.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.67
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass351.0058262
Monoisotopic Mass351.0058262
Topological Polar Surface Area108 Ų
Heavy Atom Count24
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B1244-50PYZD-4409
256376-01PYZD 4409
A21926-25PYZD-4409 25mg
A21926-5PYZD-4409 5mg
A21926-1PYZD-4409 1mg
A21926-500PYZD-4409 500mg
A21926-100PYZD-4409 100mg
A21926-50PYZD-4409 50mg
A21926-10PYZD-4409 10mg
A21926-10mM-DPYZD-4409 10mM * 1mL in DMSO

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