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XIE18-6

CAT: 0804-HY-120942-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120942-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XIE18-6 is a potent INK4C (p18) inhibitor. XIE18-6 shows potent bioactivity in hematopoietic stem cells (HSCs) expansion with an ED50 of 105.5 nM[1].
CAS Number
1286862-52-9
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/xie18-6.html
Purity
98.98
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=S(C1=CC=C(NC(C)=O)C=C1)(OC2=CC=C(C(O3)=C2)C(C)=CC3=O)=O
Molecular Formula
C18H15NO6S
Molecular Weight
373.38
References & Citations
[1]Xiang-Qun Xie, et al. Discovery of novel INK4C small-molecule inhibitors to promote human and murine hematopoietic stem cell ex vivo expansion. Sci Rep. 2015 Dec 18:5:18115.
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-Methyl-2-oxochromen-7-yl) 4-acetamidobenzenesulfonate
CAS Number1286862-52-9
PubChem CID51170008
IUPAC Name(4-methyl-2-oxochromen-7-yl) 4-acetamidobenzenesulfonate
Molecular FormulaC18H15NO6S
Molecular Weight373.4
XLogP2.5
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity687
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C18H15NO6S/c1-11-9-18(21)24-17-10-14(5-8-16(11)17)25-26(22,23)15-6-3-13(4-7-15)19-12(2)20/h3-10H,1-2H3,(H,19,20)
InChIKey
LOMKFWDFEIQKOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Methyl-2-oxochromen-7-yl) 4-acetamidobenzenesulfonate
CAS: 1286862-52-9
CID: 51170008
Formula: C18H15NO6S
MW: 373.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass373.06200837
Monoisotopic Mass373.06200837
Topological Polar Surface Area107 Ų
Heavy Atom Count26
Formal Charge0
Complexity687
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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