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METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE is a synthetic chemical compound belonging to the indazole class, which are heterocyclic aromatics with a benzene ring fused to a pyrazole ring. METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE is characterized by its aromatic and heterocyclic properties and is commonly utilized in pharmaceutical production and clinical research for the synthesis and development of various drugs. Its laboratory synthesis and application in drug creation highlight its significance in the pharmaceutical industry, where safety, handling, and storage are of utmost importance.

1079-46-5

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1079-46-5 Usage

Uses

Used in Pharmaceutical Production:
METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drug molecules. Its unique chemical structure allows it to be a versatile building block in medicinal chemistry, facilitating the creation of compounds with potential therapeutic applications.
Used in Clinical Research Labs:
In clinical research labs, METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE serves as a valuable compound for conducting experiments and studies aimed at understanding its properties and potential uses in drug discovery. Researchers leverage its chemical characteristics to explore its interactions with biological targets and evaluate its efficacy and safety in preclinical models.
Used in Drug Synthesis:
METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE is utilized as a synthetic precursor in the creation of new drug entities. Its incorporation into drug molecules can enhance their pharmacological properties, such as potency, selectivity, and bioavailability, making it an essential component in the advancement of novel therapeutic agents.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE is employed as a structural element in the design and optimization of drug candidates. Its heterocyclic nature allows for the fine-tuning of molecular properties, enabling chemists to develop compounds with improved pharmacokinetics and pharmacodynamics profiles.
Overall, METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE plays a crucial role in the pharmaceutical and clinical research sectors, contributing to the advancement of drug discovery and development through its versatile applications in drug synthesis, research, and medicinal chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 1079-46-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,7 and 9 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1079-46:
(6*1)+(5*0)+(4*7)+(3*9)+(2*4)+(1*6)=75
75 % 10 = 5
So 1079-46-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H7ClN2O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)

1079-46-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE

1.2 Other means of identification

Product number -
Other names 5-chloro-1H-indazole-3-carboxylic acid methyl ester

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:1079-46-5 SDS

1079-46-5Relevant academic research and scientific papers

Quantum mechanical study and vibrational spectra of indazolium-3- carboxylate and its decarboxylation product, the N-heterocyclic carbene indazol-3-ylidene

Schmidt, Andreas,Snovydovych, Bohdan,Casado, Juan,Quirante, Jose Joaquin,Navarrete, Juan Teodomiro Lopez,Ramirez, Francisco Javier

, p. 341 - 348 (2009)

Indazolium-3-carboxylate is a molecule that can be found as the nucleus of several pseudo-cross-conjugated mesomeric betaines, such as the alkaloid nigellicine. From a chemical point of view, one of the more interesting properties of this class of molecules is the possibility of forming an N-heterocyclic carbene by thermal decarboxylation. In this paper we have studied the carbene generation by decarboxylation of 1,2-dimethyl indazolium-3- carboxylate, using vibrational (infrared and Raman) spectroscopy and quantum chemistry calculations. Normal mode analysis allowed us to analyse the changes in the stretching force constants upon decarboxylation and to establish spectroscopic-structure relationships. We also investigate the effect of 5-halogen (fluoro, chloro) substitution on the carbene generation. Decarboxylation energy profiles of the three derivatives were calculated. Crossing of the energy paths when going from the transition state to the final product were obtained. The theoretical tendency found for the activation energies agrees with that observed for the decarboxylation temperatures and for the calculated NICS values of the benzene moieties. the Owner Societies.

CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS

-

, (2020/12/19)

Mcl-1 selective inhibitors, Bcl-2 selective inhibitors, and Mcl-1/Bcl-2 dual inhibitors and methods of using the same for the treatment of disease are disclosed.

THERAPEUTIC INHIBITORY COMPOUNDS

-

, (2015/07/16)

The invention provides compounds of Formula I and Formula II: A-B-C-D-E-F-G-J (I) C-D-E-F-G-J (II) wherein A, B, C, D, E, F, G, and J have any of the values defined in the specification, and salts thereof. The compounds are useful for inhibiting plasma kallikrein, and for treating a disease or condition in an animal where inhibition of plasma kallikrein is indicated.

ANTICANCER AGENT

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, (2013/03/26)

An anticancer agent comprising a compound represented by the formula (I) [R1 represents hydrogen atom, hydroxyl group, a C1-6alkoxy group and the like; R2 and R3 represents hydrogen atom, a halogen atom, a C1-6alkyl group and the like; R4 represents hydrogen atom, a C1-6alkyl group, a C1-6alkylsulfonyl group and the like; R5 represents hydrogen atom or a substituent; .... represents a single bond or a double bond; R6 and R7 represents hydrogen atom, a C1-6alkyl group and the like; R8 represents hydrogen atom, a C1-6alkyl group and the like; A represents -O-, -S-, or - CH2-; D represents -C= or -N=; X represents methylene group, -O-, or -CO-; Q represents -N= or -C(R8)=; and Y represents a heterocyclic group or amino group], which shows a superior inhibitory activity against pim-1 kinase.

CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II

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Page/Page column 15, (2010/11/26)

The invention discloses compounds of formula (I) wherein: R is a carboxylic acid or a derivative thereof; R1 and R2 are independently H or alkyl, or together R1 and R2 form an alkylene group; L1 is a

N-heterocyclic carbenes of 5-haloindazoles generated by decarboxylation of 5-haloindazolium-3-carboxylates

Schmidt, Andreas,Snovydovych, Bohdan,Habeck, Tobias,Droettboom, Petra,Gjikaj, Mimoza,Adam, Arnold

, p. 4909 - 4916 (2008/03/14)

Syntheses and properties of 5-fluoro-, chloro- bromo-, and iodo-substituted 11,2-dimethylindazohum-3-carboxylates as new representatives of pseudo-cross-conjugated heterocyclic mesomeric betaines are described, and results of an X-ray single crystal analy

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