PF-4840154

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H38N6O2
Molecular Weight	466.6189
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CNC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2)N3CCN(CC4CCCOC4)CC3

InChI

InChIKey=PPANZCQXFYBGHN-UHFFFAOYSA-N

InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)

HIDE SMILES / InChI

Molecular Formula	C26H38N6O2
Molecular Weight	466.6189
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Transient receptor potential cation channel subfamily A member 1 38 Target ID: CHEMBL6007 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21741838	Agonist 2678		23.0 nM [EC50]

PubMed

Title	Date	PubMed
Design and pharmacological evaluation of PF-4840154, a non-electrophilic reference agonist of the TrpA1 channel.	2011 Aug 15	21741838
Structural insights into the molecular mechanism of mouse TRPA1 activation and inhibition.	2018 May 7	29703838

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:07:18 GMT 2023` Edited by `admin` on `Sat Dec 16 19:07:18 GMT 2023`
Record UNII	BR82CU5AC9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PF-4840154

Code

English

5-PYRIMIDINECARBOXAMIDE, 4-((2-METHYLPROPYL)AMINO)-N-(PHENYLMETHYL)-2-(4-((TETRAHYDRO-2H-PYRAN-3-YL)METHYL)-1-PIPERAZINYL)-

Systematic Name

English

4-((2-METHYLPROPYL)AMINO)-N-(PHENYLMETHYL)-2-(4-((TETRAHYDRO-2H-PYRAN-3-YL)METHYL)-1-PIPERAZINYL)-5-PYRIMIDINECARBOXAMIDE

Systematic Name

English

N-benzyl-4-(isobutylamino)-2-(4-((tetrahydro-2H-pyran-3-yl)methyl)piperazin-1-yl)pyrimidine-5-carboxamide

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001029756