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Pomstafib-2

CAT: 0931-T73739-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T73739-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2332841-83-3
Target
Others, Apoptosis, STAT
Related Pathways
Apoptosis, Stem Cells, Others, JAK/STAT signaling
Bioactivity
Pomstafib-2, a potent and selective inhibitor of STAT5b, reduces pSTAT5b expression and effectively induces apoptosis [1] [2].
Smiles
CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
Molecular Formula
C52H66N2O20P2
Molecular Weight
1101.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pomstafib-2
CAS Number2332841-83-3
PubChem CID166642619
IUPAC Name[[2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxy]-4-[[[2-[4-[(4-phenoxyphenyl)carbamoyl]phenoxy]acetyl]amino]methyl]phenoxy]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Molecular FormulaC52H66N2O20P2
Molecular Weight1101.0
XLogP9.5
Topological Polar Surface Area271
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count20
Rotatable Bond Count33
Heavy Atom Count76
Formal Charge0
Complexity1920
SMILES
CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OC1=C(C=C(C=C1)CNC(=O)COC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)OP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C52H66N2O20P2/c1-49(2,3)45(57)64-31-68-75(61,69-32-65-46(58)50(4,5)6)73-41-27-18-35(28-42(41)74-76(62,70-33-66-47(59)51(7,8)9)71-34-67-48(60)52(10,11)12)29-53-43(55)30-63-38-23-19-36(20-24-38)44(56)54-37-21-25-40(26-22-37)72-39-16-14-13-15-17-39/h13-28H,29-34H2,1-12H3,(H,53,55)(H,54,56)
InChIKey
ZGQKQAXJQMLWPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomstafib-2
CAS: 2332841-83-3
CID: 166642619
Formula: C52H66N2O20P2
MW: 1101.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1101.0
XLogP39.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count20
Rotatable Bond Count33
Exact Mass1100.36841649
Monoisotopic Mass1100.36841649
Topological Polar Surface Area271 Ų
Heavy Atom Count76
Formal Charge0
Complexity1920
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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