JNJ7777120

Iupac Name：(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

Molecular Weight：277.7493

Modify Date.: 2022-11-22 20:07

Introduction:

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

View more+

Request For Quotation

1. Names and Identifiers

1.1 Name: JNJ7777120
1.2 Synonyms: (5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone (5-Chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone (5-Chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone JNJ 7777120 CS-593 JNJ 7777120 JNJ-7777120 JNJ7777120 USP/EP/BP Methanone, (5-chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)- Piperazine, 1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methyl- Piperazine,1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methyl-

1.3 CAS No.: 459168-41-3

1.4 CID: 4908365

1.5 Molecular Formula: C14H16ClN3O (isomer)

1.6 Inchi: InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3

1.7 InChkey: HUQJRYMLJBBEDO-UHFFFAOYSA-N

1.8 Canonical Smiles: CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

1.9 Isomers Smiles: CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

2. Properties

2.1 Density: 1.322

2.1 Boiling point: 477°C at 760 mmHg

2.1 Refractive index: 1.655

2.1 Flash Point: 242.3°C

2.1 PSA: 39.34000

2.1 logP: 0.69

2.1 Solubility: H2O: insoluble

2.2 Appearance: white solid

2.3 Storage: Store at +4°C

2.4 Color/Form: white

2.5 pKa: 15.20±0.30(Predicted)

2.6 Water Solubility: H2O: insoluble

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: R36/37/38

3.1 Safety Statements: 26-36

3.1 Hazard Declaration: H315-H319-H335

3.1 RIDADR: NONH for all modes of transport

3.1 Caution Statement: P261-P305 + P351 + P338

3.1 WGK Germany: 3

4. Synthesis Route

459168-41-3Total: 1 Synthesis Route

109-01-3 332 Suppliers

10517-21-2 160 Suppliers

459168-41-3 19 Suppliers

Literatures:
Lazewska, Dorota; Karolak-Wojciechowska, Janina; Kolesinska, Beata; Kaminski, Zbigniew; Kiec-Kononowicz, Katarzyna Heterocyclic Communications, 2011 , vol. 17, # 5-6 p. 207 - 210
Yield: ~81%

5. Precursor and Product

precursor:

109-01-3

10517-21-2

6. Other Information

6.0 Mesh Entry Terms: 1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine

7. Computational chemical data

Molecular Weight: 277.7493g/mol
Molecular Formula: C₁₄H₁₆ClN₃O
Compound Is Canonicalized: True
XLogP3-AA: 2.3
Exact Mass: 277.0981898
Monoisotopic Mass: 277.0981898
Complexity: 344
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 39.3
Heavy Atom Count: 19
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceBzIAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgIQAAAADArBniQywPPJkACoAyVyVACCgCAnByAImSG4ZtgIYPLBl7GUIQhglgDIyYcYiYCeAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

8. Recommended Suppliers

Global19SuppliersView all >>

Nanjing Sunsure Chemical Technology Co., Ltd Audited Suppliers

Tel:+86-025-58535435

JNJ-7777120 459168-41-3 supplier

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/25

Inquire

Hangzhou J&H Chemical Co., Ltd Audited Suppliers

Products:3,5-Dibromoanisole,5-Fluoro-2-nitroanisole,Doxorubicin hydrochloride,Diethyl 4-oxoheptanedioate,1,5-Diphenylpenta-1,4-dien-3-one,3,5-Dimethoxy-4-hydroxycinnamic acid
Tel:86-571-87396430

JNJ-7777120

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2017/12/14

Inquire

BOC Sciences

Products:building blocks, synthetic intermediates, custom synthesis
Tel:1-631-4854226

Methanone,(5-chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)-

Purity:99%Packing: 200kg/bag FOB
Price: Inquiry USD/gram
Time: 2016/03/29

Inquire

tianjin kailiqi biotechnology co.，ltd

Tel:+86-22-23754520

JNJ7777120

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/25

Inquire

EASTRUST GROUP CO LTD

Tel:86-25-84513908

CAS 459168-41-3, JNJ7777120, C14H16ClN3O

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/25

Inquire

Recently Updated : 113348-81-5 1134720-62-9 1136448-44-6 1138245-51-8 1141340-48-8 114223-10-8 1142954-48-0 1145678-21-2 1145687-02-0 1145876-65-8