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PF-5212372

CAT: 0013-GTR19241631-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241631-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF 5212372 (also known as PLA-950, ZPL-521, ZPL 5212372) is a highly potent and selective small molecule inhibitor of cytosolic phospholipase A2 (cPLA2) . It is a valuable research tool for studying inflammatory pathways and eicosanoid signaling in both cellular (in vitro) and animal (in vivo) experimental models.
CAS Number
916136-25-9
Smiles
O=C (O) CCC1=CC=C (C=C1) S (=O) (=O) CCC=2C=3C=C (Cl) C=CC3N (C2CCNS (=O) (=O) CC=4C=CC=CC4C (F) (F) F) C (C=5C=CC=CC5) C=6C=CC=CC6
Molecular Formula
C42H38ClF3N2O6S2
Molecular Weight
823.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pf-5212372

PF-5212372 is under investigation in clinical trial NCT02795832 (A Study to Determine the Safety & Efficacy of ZPL-5212372 in Healthy Subjects and in Subjects With Atopic Dermatitis).

CAS Number916136-25-9
PubChem CID15949539
IUPAC Name3-[4-[2-[1-benzhydryl-5-chloro-2-[2-[[2-(trifluoromethyl)phenyl]methylsulfonylamino]ethyl]indol-3-yl]ethylsulfonyl]phenyl]propanoic acid
Molecular FormulaC42H38ClF3N2O6S2
Molecular Weight823.3
XLogP8.6
Topological Polar Surface Area139
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Heavy Atom Count56
Formal Charge0
Complexity1450
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=C3CCNS(=O)(=O)CC5=CC=CC=C5C(F)(F)F)CCS(=O)(=O)C6=CC=C(C=C6)CCC(=O)O
InChI
InChI=1S/C42H38ClF3N2O6S2/c43-33-18-21-38-36(27-33)35(24-26-55(51,52)34-19-15-29(16-20-34)17-22-40(49)50)39(48(38)41(30-9-3-1-4-10-30)31-11-5-2-6-12-31)23-25-47-56(53,54)28-32-13-7-8-14-37(32)42(44,45)46/h1-16,18-21,27,41,47H,17,22-26,28H2,(H,49,50)
InChIKey
HWNIPKHEEVNHMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pf-5212372
CAS: 916136-25-9
CID: 15949539
Formula: C42H38ClF3N2O6S2
MW: 823.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight823.3
XLogP38.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Exact Mass822.1811915
Monoisotopic Mass822.1811915
Topological Polar Surface Area139 Ų
Heavy Atom Count56
Formal Charge0
Complexity1450
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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