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PM-43I

CAT: 0013-GTR19209650-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209650-02Size:50 mg
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Description
PM-43I is a potent small molecule inhibitor effective against STAT5- and STAT6-mediated signaling. It demonstrates efficacy in murine models of allergic airway disease, making it a valuable research tool for studying asthma pathophysiology and JAK-STAT pathways in both in vivo and in vitro settings.
CAS Number
1637532-77-4
Field of Research
Signal Transduction, Stem Cell & Developmental Biology
Smiles
C (P (OCOC (C (C) (C) C) =O) (OCOC (C (C) (C) C) =O) =O) (F) (F) C1=CC=C (\C (=C\C (N[C@@H]2C (=O) N (CC (N (C) C3=CC=CC=C3) =O) CCCC2) =O) \C) C=C1
Molecular Formula
C38H50F2N3O10P
Molecular Weight
777.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 154731124
CAS Number1637532-77-4
PubChem CID154731124
IUPAC Name[[difluoro-[4-[(E)-4-[[(3S)-1-[2-(N-methylanilino)-2-oxoethyl]-2-oxoazepan-3-yl]amino]-4-oxobut-2-en-2-yl]phenyl]methyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Molecular FormulaC38H50F2N3O10P
Molecular Weight777.8
XLogP6.3
Topological Polar Surface Area158
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count18
Heavy Atom Count54
Formal Charge0
Complexity1380
SMILES
C/C(=C\C(=O)N[C@H]1CCCCN(C1=O)CC(=O)N(C)C2=CC=CC=C2)/C3=CC=C(C=C3)C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C38H50F2N3O10P/c1-26(22-31(44)41-30-16-12-13-21-43(33(30)46)23-32(45)42(8)29-14-10-9-11-15-29)27-17-19-28(20-18-27)38(39,40)54(49,52-24-50-34(47)36(2,3)4)53-25-51-35(48)37(5,6)7/h9-11,14-15,17-20,22,30H,12-13,16,21,23-25H2,1-8H3,(H,41,44)/b26-22+/t30-/m0/s1
InChIKey
MUOJHRIQZPVHNP-ZLMUDAIHSA-N
Chemical Structure
2D Structure
2D structure of CID 154731124
CAS: 1637532-77-4
CID: 154731124
Formula: C38H50F2N3O10P
MW: 777.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight777.8
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count18
Exact Mass777.32018812
Monoisotopic Mass777.32018812
Topological Polar Surface Area158 Ų
Heavy Atom Count54
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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