PF-4455242 HCl

CAT: 0931-T28383-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T28383-01Size:1 mg

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

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CAS Number

1322001-35-3

Target

Opioid Receptor

Related Pathways

Endocrinology/Hormones, GPCR/G Protein, Neuroscience

Purity

0.9959

Bioactivity

PF-4455242 HCl is a selective and orally available κ-opioid receptor antagonist that promotes pulsatile luteinising hormone (LH) secretion and ovarian activity, exhibiting antidepressant effects.

Smiles

Cl.O=S(=O)(C=1C=CC=CC1C2=CC=C(C=C2)CNCC(C)C)N3CCCC3

Molecular Formula

C21H29ClN2O2S

Molecular Weight

408.99

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

PF-4455242

CAS Number	1322001-35-3
PubChem CID	53465410
IUPAC Name	2-methyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine;hydrochloride
Molecular Formula	C21H29ClN2O2S
Molecular Weight	409.0
Topological Polar Surface Area	57.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	515

SMILES

CC(C)CNCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N3CCCC3.Cl

InChI

InChI=1S/C21H28N2O2S.ClH/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23;/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3;1H

InChIKey

WRNZYMZEVIVCFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1322001-35-3

CID: 53465410

Formula: C21H29ClN2O2S

MW: 409.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	409.0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	408.1638270
Monoisotopic Mass	408.1638270
Topological Polar Surface Area	57.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	515
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	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5778072	PF-4455242
525967	PF-4455242 HCl
HY-15691A-01	PF-4455242 (hydrochloride)
MBS579460	PF-03084014 (PF-3084014)
BA7029-25	PF-04745637
A4374-5.1	PF-3845
A8499-50	PF-04691502
B8018-100	PF 1022A
BA4631-10	PF-739
A8320-S	PF-00562271

PF-4455242 HCl

Chemical Information

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