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(5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone

(5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone structure

CAS No:
459168-41-3
Formula:
C14H16ClN3O
Chemical Name:
(5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone
Synonyms:
Methanone,(5-chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)-;Piperazine,1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methyl-;(5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone;(5-Chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone;JNJ 7777120
Categories:
Biochemical Engineering > Inhibitors

Description

JNJ-7777120 is a selective H4R antagonist with Ki of 4 ±1 nM, exhibits >1000-fold selectivity over the other histamin receptors.IC50 value: 4 ±1 nM (Ki) [1] Target: histamine H4 receptorin vitro: JNJ-7777120 prevents fibronectin-induced lung fibroblast migration, thus suggesting that H4R could represent an attractive target for the development of new drugs for lung fibrosis treatment .[2]in vivo: JNJ 7777120 blocks histamine-induced chemotaxis and calcium influx in mouse bone marrow-deri

(5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone Basic Attributes

Molecular Weight：

277.753

Exact Mass：

277.75

UNII：

4H1AU2V37X

Characteristics

PSA：

39.3

XLogP3：

2.3

Appearance：

white solid

Density：

1.3±0.1 g/cm3

Boiling Point：

477°C at 760 mmHg

Flash Point：

242.3±28.7 °C

Refractive Index：

1.656

Water Solubility：

H2O: insoluble

Storage Conditions：

Store at +4°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine

(5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone Use and Manufacturing

A mixture of 5-chloroindole-2-carboxylic acid (0.234 g), HATU (0.569 g), HOAT (0.203 g) and N, N-diisopropylethylamine (0.191 mL) in DMF (0.6 mL) was treated with N-methylpiperazine (0.1 mL) stirred at ambient temperature for 48 h then concentrated under reduced pressure. The residue was dissolved in ethyl acetate, washed with 1 M hydrochloric acid, saturated sodium hydrogen carbonate solution and then brine, dried over sodium sulfate, filtered, and concentrated under reduced pressure. The residue was purified via silica gel chromatography (3-10percent 2 M ammonia in methanol/ dichloromethane) to give the title compound (0.18 g).

Computed Properties

Molecular Weight:277.75
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:277.0981898
Monoisotopic Mass:277.0981898
Topological Polar Surface Area:39.3
Heavy Atom Count:19
Complexity:344
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of (5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone

Compound Net Biotechnology Inc. Contact Supplier

CN
2 YRS

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Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

459168-41-3 (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

CAS No.: 459168-41-3

Grade: Industrial Grade

Content: 95%

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Guide of (5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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