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MDH1-IN-1

CAT: 0804-HY-147790-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147790-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MDH1-IN-1 (Compound 5i) is a potent inhibitor of MDH1 with an IC50 of 6.79 μM. MDH1-IN-1 has the potential for the research of cancer diseases[1].
CAS Number
2143463-31-2
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mdh1-in-1.html
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OC)C1=CC=CC(NC(COC2=CC=C(CCCCC)C=C2)=O)=C1
Molecular Formula
C21H25NO4
Molecular Weight
355.43
References & Citations
[1]Naik R, et al. Methyl 3- (3- (4- (2,4,4-Trimethylpentan-2-yl) phenoxy) -propanamido) benzoate as a Novel and Dual Malate Dehydrogenase (MDH) 1/2 Inhibitor Targeting Cancer Metabolism. J Med Chem. 2017;60 (20) :8631-8646.
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

Mdh1-IN-1
CAS Number2143463-31-2
PubChem CID137648461
IUPAC Namemethyl 3-[[2-(4-pentylphenoxy)acetyl]amino]benzoate
Molecular FormulaC21H25NO4
Molecular Weight355.4
XLogP5.1
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count26
Formal Charge0
Complexity432
SMILES
CCCCCC1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)OC
InChI
InChI=1S/C21H25NO4/c1-3-4-5-7-16-10-12-19(13-11-16)26-15-20(23)22-18-9-6-8-17(14-18)21(24)25-2/h6,8-14H,3-5,7,15H2,1-2H3,(H,22,23)
InChIKey
HDBDOZJTIIABKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mdh1-IN-1
CAS: 2143463-31-2
CID: 137648461
Formula: C21H25NO4
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass355.17835828
Monoisotopic Mass355.17835828
Topological Polar Surface Area64.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity432
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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Alternative Products

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NBP3-08427BMouse Monoclonal MDH1 Antibody (CPTC-MDH1-1) [Biotin]
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