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FX1

CAT: 0804-HY-102027-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-102027-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FX1 is a potent and specific BCL6 inhibitor, with an IC50 of around 35 μM.
CAS Number
1426138-42-2
UNSPSC
12352005
Hazard Statement
H302
Target
Apoptosis; Bcl-2 Family
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/FX1.html
Purity
98.0
Solubility
DMSO : 10 mg/mL (ultrasonic)
Smiles
O=C(O)CCN(C/1=O)C(SC1=C2C(NC3=C/2C=C(Cl)C=C3)=O)=S
Molecular Formula
C14H9ClN2O4S2
Molecular Weight
368.82
Precautions
H302
References & Citations
[1]Mariano G et al. Rationally designed BCL6 inhibitors target activated B cell diffuse large B cell lymphoma. J Clin Invest. 2016 Sep 1; 126 (9) : 3351–3362.
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

(Z)-3-(5-(5-chloro-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid

FX1 is a member of the class of oxindoles that is 5-chloro-oxindole in which the methylene hydrogens at position 3 have been replaced by an N-(2-carboxyethyl)rhodanin-5-ylidene group. It has a role as an antineoplastic agent. It is a monocarboxylic acid, an organochlorine compound, a member of oxindoles and a thiazolidinone. It is functionally related to a 3-methyleneoxindole and a rhodanine.

CAS Number1426138-42-2
PubChem CID135886621
IUPAC Name3-[5-(5-chloro-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
Molecular FormulaC14H9ClN2O4S2
Molecular Weight368.8
XLogP1.4
Topological Polar Surface Area148
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity808
SMILES
C1=CC2=NC(=O)C(=C2C=C1Cl)C3=C(N(C(=S)S3)CCC(=O)O)O
InChI
InChI=1S/C14H9ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5,21H,3-4H2,(H,18,19)
InChIKey
JYBGCTWNOMSQJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Z)-3-(5-(5-chloro-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
CAS: 1426138-42-2
CID: 135886621
Formula: C14H9ClN2O4S2
MW: 368.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.8
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass367.9692268
Monoisotopic Mass367.9692268
Topological Polar Surface Area148 Ų
Heavy Atom Count23
Formal Charge0
Complexity808
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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