CAS 874902-19-9|N,N-dimethyl-5-[(4-phenylphenyl)methyl]-1,2,3,4-tetrazole-1-carboxamide|LY-2183240|N,N-dimethyl-5-[(4-phenylphenyl)methyl]-1H-1,2,3,4-tetrazole-1-carboxamide|LY2183240|5-Biphenyl-4-y...

General Information

Structure

Molecular Formula

C₁₇H₁₇N₅O

Molecular Mass

307.34978

Exact Mass

307.14331019

Charge

InChI

InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3

InChIKey

GZNIYOXWFCDBBJ-UHFFFAOYSA-N

Canonic Smiles

CN(C(=O)n1nnnc1Cc1ccc(cc1)c1ccccc1)C

Isomeric Smiles

CN(C)C(=O)n1nnnc1Cc1ccc(cc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2672813

LogD (pH = 7.4)

2.2672813

Log P

2.2672813

Molar Refractivity

90.3578

Polarizability

34.412334

Polar Surface Area

63.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

N,N-dimethyl-5-[(4-phenylphenyl)methyl]-1,2,3,4-tetrazole-1-carboxamide

IUPAC name

N,N-dimethyl-5-[(4-phenylphenyl)methyl]-1H-1,2,3,4-tetrazole-1-carboxamide

Synonyms

LY-2183240LY21832405-Biphenyl-4-ylmethyl-tetrazole-1-carboxylic acid dimethylamide1H-Tetrazole-1-carboxamide, 5-([1,1′-biphenyl]-4-ylmethyl)-N,N-dimethyl-

Names and Identifiers

Registration numbers

Wikipedia Title

PubChem CID

CAS Number

MDL Number

PubChem SID

Registration numbers

Properties

Safety Information

GHS Hazard statements

H302

Risk Statements

German water hazard class

Storage Condition

desiccated

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

MSDS Link

Download link

GHS Signal Word

Warning

European Hazard Symbols

Harmful (Xn)

Storage Temperature

2-8°C

Product Information

Purity

≥98% (HPLC)

Empirical Formula (Hill Notation)

C17H17N5O

Physical Property

Solubility

DMSO: >10 mg/mL

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

L9044

Biochem/physiol Actions
Regioisomer 1-5 of LY2183240 is a potent inhibitor of anandamide uptake (IC50= 15 nM). The compound inhibits FAAH (IC50=2.1 nM) and some other brain serine proteases. After systemic administration to rodents, LY2182340 elevates brain anandamide levels and shows efficacy in a rodent model of persistent pain (ED50=1.37 mg/kg). Regioisomer 2-5 of LY2183240 is less active. The compound is more potent than N-(4-Hydroxyphenyl)-arachidonylamide (AM-404), which inhibits anandamide transport at IC50=1mM.

Wikipedia

LY-2183240

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

N,N-dimethyl-5-[(4-phenylphenyl)methyl]-1,2,3,4-tetrazole-1-carboxamide

IUPAC name

N,N-dimethyl-5-[(4-phenylphenyl)methyl]-1H-1,2,3,4-tetrazole-1-carboxamide

Synonyms

LY-2183240LY21832405-Biphenyl-4-ylmethyl-tetrazole-1-carboxylic acid dimethylamide1H-Tetrazole-1-carboxamide, 5-([1,1′-biphenyl]-4-ylmethyl)-N,N-dimethyl-

Registration numbers

Wikipedia Title

PubChem CID

CAS Number

MDL Number

PubChem SID

Properties