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2-[(4-Chloro-2-nitrophenyl)amino]-benzoic acid is a diazepinomicin derivative characterized by its unique chemical structure, featuring a chloronitrophenyl group attached to an aminobenzoic acid backbone. 2-[(4-CHLORO-2-NITROPHENYL)AMINO]-BENZOIC ACID possesses potential anticancer properties and is also identified as an impurity in the synthesis of certain pharmaceuticals.

60091-87-4

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60091-87-4 Usage

Uses

Used in Pharmaceutical Industry:
2-[(4-Chloro-2-nitrophenyl)amino]-benzoic acid is used as an impurity in the synthesis of Clozapine (C587500), an antipsychotic medication. Its presence during the synthesis process is crucial for the development of this medication, which is utilized for the treatment of schizophrenia and other related conditions.
Used in Oncology Research:
2-[(4-Chloro-2-nitrophenyl)amino]-benzoic acid is employed as a potential anticancer agent in the field of oncology. Its diazepinomicin derivative nature suggests that it may have the capacity to target and inhibit the growth of cancer cells, making it a subject of interest for further research and development in cancer treatment.

Check Digit Verification of cas no

The CAS Registry Mumber 60091-87-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,0,0,9 and 1 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 60091-87:
(7*6)+(6*0)+(5*0)+(4*9)+(3*1)+(2*8)+(1*7)=104
104 % 10 = 4
So 60091-87-4 is a valid CAS Registry Number.
InChI:InChI=1/C13H9ClN2O4/c14-8-5-6-11(12(7-8)16(19)20)15-10-4-2-1-3-9(10)13(17)18/h1-7,15H,(H,17,18)

60091-87-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-chloro-2-nitroanilino)benzoic acid

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:60091-87-4 SDS

60091-87-4Relevant academic research and scientific papers

Synthesis and pharmacological evaluation of 11-(1,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5H-dibenzo[b,e][1,4]diazepines with clozapine-like receptor occupancy at dopamine D1/D2 receptor

Watanabe, Hitoshi,Ishida, Kyoji,Yamamoto, Masanori,Horiguchi, Masakuni,Isobe, Yoshiaki

supporting information, (2020/10/02)

Clozapine-like compound without agranulocytosis risk is need to cure the treatment resistant schizophrenia (TRS). We discovered (S)-3 as Clozapine-like dopamine D2/D1 receptor selectivity and improved reactive metabolites formation profile by the modification of piperazine moiety in Clozapine. The optimization of (S)-3 gave compound 5 to be best compound (approximately 10-fold stronger affinity for D2/D1 receptor and similar D2/D1 selectivity ratio with Clozapine). Clozapine-like D2/D1 receptor occupancy profile was proved by in vivo evaluation. In addition, the reactive metabolites derived agranulocytosis risk of compound 5 was considered to be lower than Clozapine. The pharmacology detail of compound 5 is being investigated to develop it for TRS treatment.

NOVEL and IMPROVED SYNTHESIS OF ANTIPSYCHOTIC DRUG

-

Page/Page column 15-17, (2020/01/08)

The present invention relates to novel as well as improved process for the preparation of Clozapine of Formula I which involves anti-narcotic and highly cost effective raw materials.

Design, synthesis and anticancer activity evaluation of diazepinomicin derivatives

Yu, Yongguo,Wu, Jianbo,Lei, Fan,Chen, Lei,Wan, Weili,Hai, Li,Guan, Mei,Wu, Yong

, p. 369 - 373 (2013/07/26)

A series of diazepinomicin derivatives were synthesized and evaluated in vitro for their growth inhibitory activity against the human carcinoma cell lines. The results indicated the anticancer selectivity of this kind of compounds. Based on the results, preliminary structure-activity relationships were discussed.

COMPOUNDS WITH 7-MEMBER CYCLE AND THE PHARMACEUTICAL USE THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLISM SYNDROME

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Page/Page column 35, (2010/07/06)

The invention discloses a new use of a class of heptacyclic compounds in the preparation of formulations for the prevention and treatment of diabetes and metabolic syndromes; the present invention also discloses a new class of heptacyclic compounds; the present invention also discloses a process for preparing the heptacyclic compounds and a composition containing the same. The heptacyclic compounds of the present invention can be used to effectively preventing or treating diseases such as diabetes and metabolic syndromes.

DIBENZO[b,e][1,4]DIAZEPINE MODULATORS OF DOPAMINE RECEPTORS, SEROTONIN RECEPTORS, ADRENERGIC RECEPTORS, ACETYLCHOLINE RECEPTORS, AND/OR HISTAMINE RECEPTORS

-

, (2010/07/08)

The present invention relates to new dibenzo[b,e][1,4]diazepine modulators of dopamine receptors, serotonin receptors, adrenergic receptors, acetylcholine receptors, and/or histamine receptors, pharmaceutical compositions thereof, and methods of use thereof.

NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS

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Page/Page column 18; 64-65, (2010/02/07)

The present invention provides compounds according to general Formula (I), a prodrug thereof, a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable salt of a prodrug thereof. More particularly, the present invention provides high affinity non-steroidal compounds which are agonists, partial agonists or antagonists of the progesterone receptor.

Synthesis and preliminary pharmacological evaluation of 4′-arylmethyl analogues of clozapine. I - The effect of aromatic substituents

Capuano, Ben,Crosby, Ian T.,Lloyd, Edward J.,Taylor, David A.

, p. 565 - 576 (2007/10/03)

As part of a research program to develop compounds with mixed dopamine D4 and serotonin 5-HT2A antagonist activity with potential for the treatment of schizophrenia, we report a family of compounds based on structural modification of the atypical antipsychotic, clozapine (2). The chemical synthesis, structural characterization and pharmacological evaluation of a series 4′-arylmethyl analogues of clozapine are described. Preliminary receptor binding data are presented, examining primarily the electronic and positional effects of substituents on the introduced arylmethyl group, and secondarily the nature of the aryl ring.

Dibenzodiazepines

-

, (2008/06/13)

This invention provides dibenzodiazepines represented by the formula STR1 wherein R is STR2 The compounds of this invention are useful as antischizophrenics.

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