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CaMdr1p-IN-1

CAT: 0804-HY-120432Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-120432Size:1 Each
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Description
CaMdr1p-IN-1 (Compound A) is an inhibitor for the major facilitator superfamily transporter CaMdr1p. CaMdr1p-IN-1 exhibits chemosensitizing efficacy. CaMdr1p-IN-1 synergizes with Fluconazole , that inhibits CaMdr1p overexpressing Candida albicans with MIC of 10 μM[1].
CAS Number
1257542-38-3
UNSPSC
12352005
Target
ATP-binding cassette (ABC) transporters; Fungal
Type
Reference compound
Related Pathways
Anti-infection; Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/camdr1p-in-1.html
Smiles
O=C1C(C(NC2=CC=CC=C2)=C1/C=C3N(C4=C(C\3(C)C)C=CC=C4)C)=O
Molecular Formula
C22H20N2O2
Molecular Weight
344.41
References & Citations
[1]Keniya MV, et al., Inhibitors of the Candida albicans Major Facilitator Superfamily Transporter Mdr1p Responsible for Fluconazole Resistance. PLoS One. 2015 May 7;10 (5) :e0126350.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 168012376
CAS Number1257542-38-3
PubChem CID168012376
IUPAC Name3-anilino-4-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobut-3-ene-1,2-dione
Molecular FormulaC22H20N2O2
Molecular Weight344.4
XLogP4.3
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity682
SMILES
CC\1(C2=CC=CC=C2N(/C1=C/C3=C(C(=O)C3=O)NC4=CC=CC=C4)C)C
InChI
InChI=1S/C22H20N2O2/c1-22(2)16-11-7-8-12-17(16)24(3)18(22)13-15-19(21(26)20(15)25)23-14-9-5-4-6-10-14/h4-13,23H,1-3H3/b18-13+
InChIKey
GHIMFDNERWLZKB-QGOAFFKASA-N
Chemical Structure
2D Structure
2D structure of CID 168012376
CAS: 1257542-38-3
CID: 168012376
Formula: C22H20N2O2
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass344.152477885
Monoisotopic Mass344.152477885
Topological Polar Surface Area49.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity682
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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