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JNJ-4929821

CAT: 0804-HY-122225Size: 1 EachDry Ice: NoHazardous: No
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Description
JNJ-4929821 (Compound 88), a triazole derivative, is a selective Methionine aminopeptidase-2 (MetAP-2) inhibitor with an IC50 of 15 nM over MetAP-1. JNJ-4929821 can be used for cancers like liver cancer, colorectal adenocarcinoma and pancreatic cancer research[1].
CAS Number
836671-12-6
UNSPSC
12352005
Target
MetAP
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Cancer
Smiles
O=S(C1=CC=CS1)(N(CC2=CC=C(F)C=C2)CC3=NC=NN3)=O
Molecular Formula
C14H13FN4O2S2
Molecular Weight
352.41
References & Citations
[1]Yin SQ, et al. The development of MetAP-2 inhibitors in cancer treatment. Curr Med Chem. 2012;19 (7) :1021-35.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MetAP2

Chemical Information

CID 46209555
CAS Number836671-12-6
PubChem CID46209555
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
Molecular FormulaC14H13FN4O2S2
Molecular Weight352.4
XLogP2.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity480
SMILES
C1=CSC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC3=NC=NN3
InChI
InChI=1S/C14H13FN4O2S2/c15-12-5-3-11(4-6-12)8-19(9-13-16-10-17-18-13)23(20,21)14-2-1-7-22-14/h1-7,10H,8-9H2,(H,16,17,18)
InChIKey
UGVZRLMKBSBNEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 46209555
CAS: 836671-12-6
CID: 46209555
Formula: C14H13FN4O2S2
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass352.04639618
Monoisotopic Mass352.04639618
Topological Polar Surface Area116 Ų
Heavy Atom Count23
Formal Charge0
Complexity480
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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