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AN-988

CAT: 0804-HY-160296Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-160296Size:1 Each
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Description
AN-988 (compund 6) is a covalent CRM1 inhibitor[1].
CAS Number
340304-55-4
UNSPSC
12352005
Target
CRM1
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/an-988.html
Smiles
O=C(C1=CC=CC(COC2=CC=C(/C=C3S/C(N(CC)C/3=O)=N/CC)C=C2)=C1)O
Molecular Formula
C22H22N2O4S
Molecular Weight
410.49
References & Citations
[1]CN1657529
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-[[4-[(3-Ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
CAS Number340304-55-4
PubChem CID1231106
IUPAC Name3-[[4-[(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
Molecular FormulaC22H22N2O4S
Molecular Weight410.5
XLogP4.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity655
SMILES
CCN=C1N(C(=O)C(=CC2=CC=C(C=C2)OCC3=CC(=CC=C3)C(=O)O)S1)CC
InChI
InChI=1S/C22H22N2O4S/c1-3-23-22-24(4-2)20(25)19(29-22)13-15-8-10-18(11-9-15)28-14-16-6-5-7-17(12-16)21(26)27/h5-13H,3-4,14H2,1-2H3,(H,26,27)
InChIKey
CSDYONZGDMCBNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[[4-[(3-Ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
CAS: 340304-55-4
CID: 1231106
Formula: C22H22N2O4S
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass410.13002836
Monoisotopic Mass410.13002836
Topological Polar Surface Area105 Ų
Heavy Atom Count29
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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