PF-8380

CAT: 0957-S8218-04Size: 200 mgDry Ice: YesHazardous: No

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CAT#:0957-S8218-04Size:200 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

PF-8380 is a potent autotaxin (ATX) inhibitor with IC50 of 2.8 nM in an in vitro enzyme assay.

CAS Number

1144035-53-9

Target

PDE

Activity

Metabolism

Molecular Formula

C22H21Cl2N3O5

Storage Conditions

2 years -80 in solvent

Chemical Information

PF-8380

CAS Number	1144035-53-9
PubChem CID	25265312
IUPAC Name	(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
Molecular Formula	C22H21Cl2N3O5
Molecular Weight	478.3
XLogP	3.2
Topological Polar Surface Area	88.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	32
Formal Charge	0
Complexity	693

SMILES

C1CN(CCN1CCC(=O)C2=CC3=C(C=C2)NC(=O)O3)C(=O)OCC4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)

InChIKey

JMSUDQYHPSNBSN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1144035-53-9

CID: 25265312

Formula: C22H21Cl2N3O5

MW: 478.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	478.3
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	477.0858262
Monoisotopic Mass	477.0858262
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	693
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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S6499-01	PF-6260933
S6145-01	PF-05221304
S2921-01	PF-4981517
S2890-01	PF-562271
S2421-01	PF-04457845
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Alternative Products

Catalog	Name
A3720-50	PF-8380
256219-01	PF 8380
C8453-50	PF-8380 hydrochloride
A11527-10	PF-8380 10mg

PF-8380

Chemical Information

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