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Stafib-1

CAT: 0804-HY-112647-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112647-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Stafib-1 is the first selective inhibitor of the STAT5b SH2 domain, with a Ki of 44 nM and an IC50 of 154 nM[1].
CAS Number
1688703-26-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
STAT
Type
Reference compound
Related Pathways
JAK/STAT Signaling; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/stafib-1.html
Purity
99.25
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C2C=C(OCC(NCC3=CC=C(OP(O)(O)=O)C(OP(O)(O)=O)=C3)=O)C=CC2=C1)NC4=CC=CC=C4
Molecular Formula
C26H24N2O11P2
Molecular Weight
602.42
Precautions
H302, H315, H319, H335
References & Citations
[1]Nagarajan Elumalai, et al. Rational development of Stafib-2: a selective, nanomolar inhibitor of the transcription factor STAT5b. Sci Rep. 2017 Apr 11;7 (1) :819.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
STAT5

Chemical Information

Stafib-1
CAS Number1688703-26-5
PubChem CID122432036
IUPAC Name[4-[[[2-[6-(phenylcarbamoyl)naphthalen-2-yl]oxyacetyl]amino]methyl]-2-phosphonooxyphenyl] dihydrogen phosphate
Molecular FormulaC26H24N2O11P2
Molecular Weight602.4
XLogP1.5
Topological Polar Surface Area201
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity982
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)OCC(=O)NCC4=CC(=C(C=C4)OP(=O)(O)O)OP(=O)(O)O
InChI
InChI=1S/C26H24N2O11P2/c29-25(27-15-17-6-11-23(38-40(31,32)33)24(12-17)39-41(34,35)36)16-37-22-10-9-18-13-20(8-7-19(18)14-22)26(30)28-21-4-2-1-3-5-21/h1-14H,15-16H2,(H,27,29)(H,28,30)(H2,31,32,33)(H2,34,35,36)
InChIKey
SMUYYYBDKASIKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Stafib-1
CAS: 1688703-26-5
CID: 122432036
Formula: C26H24N2O11P2
MW: 602.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight602.4
XLogP31.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass602.08553358
Monoisotopic Mass602.08553358
Topological Polar Surface Area201 Ų
Heavy Atom Count41
Formal Charge0
Complexity982
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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