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IGOT1-01

CAT: 0804-HY-124825-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124825-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IGOT1-01 is a potent aspartate aminotransferase 1 (glutamate oxaloacetate transaminase 1; GOT1) inhibitor. iGOT1-01 has IC50s of 85 μM and 11.3 μM in MDH coupled GOT1 enzymatic assay and GOT1/GLOX/HRP assay, respectively. iGOT1-01 has anti-cancer activity[1][2].
CAS Number
882256-55-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/igot1-01.html
Concentration
10mM
Purity
99.77
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N1CCN(C2=CC=CC3=C2C=CN3)CC1)NC4=CC=CC=C4
Molecular Formula
C19H20N4O
Molecular Weight
320.39
Precautions
H302, H315, H319, H335
References & Citations
[1]Justin Anglin, et al. Discovery and optimization of aspartate aminotransferase 1 inhibitors to target redox balance in pancreatic ductal adenocarcinoma. Bioorg Med Chem Lett. 2018 Sep 1;28 (16) :2675-2678.|[2]Melissa C Holt, et al. Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors. Biochemistry. 2018 Nov 27;57 (47) :6604-6614.
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

4-(1H-indol-4-yl)-N-phenylpiperazine-1-carboxamide
CAS Number882256-55-5
PubChem CID2818038
IUPAC Name4-(1H-indol-4-yl)-N-phenylpiperazine-1-carboxamide
Molecular FormulaC19H20N4O
Molecular Weight320.4
XLogP2.8
Topological Polar Surface Area51.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity429
SMILES
C1CN(CCN1C2=CC=CC3=C2C=CN3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C19H20N4O/c24-19(21-15-5-2-1-3-6-15)23-13-11-22(12-14-23)18-8-4-7-17-16(18)9-10-20-17/h1-10,20H,11-14H2,(H,21,24)
InChIKey
MGSDOEMLWKEWSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(1H-indol-4-yl)-N-phenylpiperazine-1-carboxamide
CAS: 882256-55-5
CID: 2818038
Formula: C19H20N4O
MW: 320.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass320.16371127
Monoisotopic Mass320.16371127
Topological Polar Surface Area51.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity429
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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