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6-chloropyridazine-3-carbonyl chloride is a chemical compound with the molecular formula C6H2ClN3O. It is a chlorinated derivative of pyridazine-3-carbonyl chloride, which is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 6-chloropyridazine-3-carbonyl chloride is a reactive and versatile reagent widely employed in organic synthesis for the preparation of various heterocyclic compounds. It participates in reactions to form new carbon-carbon and carbon-nitrogen bonds, making it an important building block in the production of diverse chemical compounds. Additionally, it is also utilized in the development of new materials and in research applications for its unique reactivity and selectivity in chemical transformations.

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  • 6531-04-0 Structure
  • Basic information

    1. Product Name: 6-chloropyridazine-3-carbonyl chloride
    2. Synonyms: 6-chloropyridazine-3-carbonyl chloride;6-chloropyrazine-3-carboxylic acid chloride
    3. CAS NO:6531-04-0
    4. Molecular Formula: C5H2Cl2N2O
    5. Molecular Weight: 176.99
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 6531-04-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 231.9°C at 760 mmHg
    3. Flash Point: 94.1°C
    4. Appearance: /
    5. Density: 1.549g/cm3
    6. Vapor Pressure: 0.0608mmHg at 25°C
    7. Refractive Index: 1.571
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: -1.52±0.10(Predicted)
    11. CAS DataBase Reference: 6-chloropyridazine-3-carbonyl chloride(CAS DataBase Reference)
    12. NIST Chemistry Reference: 6-chloropyridazine-3-carbonyl chloride(6531-04-0)
    13. EPA Substance Registry System: 6-chloropyridazine-3-carbonyl chloride(6531-04-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 6531-04-0(Hazardous Substances Data)

6531-04-0 Usage

Uses

Used in Pharmaceutical Industry:
6-chloropyridazine-3-carbonyl chloride is used as a key intermediate for the synthesis of various pharmaceuticals. Its unique reactivity and selectivity in chemical transformations enable the production of a wide range of therapeutic agents, including antibiotics, anti-inflammatory drugs, and anticancer agents.
Used in Agrochemical Industry:
6-chloropyridazine-3-carbonyl chloride is used as a building block in the synthesis of agrochemicals, such as insecticides, herbicides, and fungicides. Its ability to form new carbon-carbon and carbon-nitrogen bonds contributes to the development of effective and environmentally friendly crop protection products.
Used in Organic Synthesis:
6-chloropyridazine-3-carbonyl chloride is used as a versatile reagent in organic synthesis for the preparation of various heterocyclic compounds. Its participation in reactions to form new carbon-carbon and carbon-nitrogen bonds makes it an important component in the synthesis of complex organic molecules.
Used in Material Development:
6-chloropyridazine-3-carbonyl chloride is used in the development of new materials, such as polymers and composites, due to its unique reactivity and selectivity in chemical transformations. This allows for the creation of innovative materials with improved properties and performance.
Used in Research Applications:
6-chloropyridazine-3-carbonyl chloride is used in research applications to explore its unique reactivity and selectivity in chemical transformations. This helps in understanding the underlying mechanisms of various chemical reactions and contributes to the advancement of chemical sciences.

Check Digit Verification of cas no

The CAS Registry Mumber 6531-04-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,5,3 and 1 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 6531-04:
(6*6)+(5*5)+(4*3)+(3*1)+(2*0)+(1*4)=80
80 % 10 = 0
So 6531-04-0 is a valid CAS Registry Number.
InChI:InChI=1/C5H2Cl2N2O/c6-4-2-8-3(1-9-4)5(7)10/h1-2H

6531-04-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-chloropyrazine-2-carboxylic acid,chloride

1.2 Other means of identification

Product number -
Other names 6-CHLOROPYRAZINE-3-CARBOXYLIC ACID CHLORIDE

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:6531-04-0 SDS

6531-04-0Relevant articles and documents

Developing pyridazine-3-carboxamides to be CB2 agonists: The design, synthesis, structure-activity relationships and docking studies

Qian, Hai-Yan,Wang, Zhi-Long,Xie, Xiao-Yu,Pan, You-Lu,Li, Gang-Jian,Xie, Xin,Chen, Jian-Zhong

, p. 598 - 611 (2017)

Herein, we described the design and synthesis of a series of pyridazine-3-carboxamides to be CB2-selective agonists via a combination of scaffold hopping and bioisosterism strategies. The compounds were subjected to assessment of their potential activities through calcium mobilization assays. Among the tested derivatives, more than half of these compounds exhibited moderate to potent CB2 agonist activity. Six compounds showed EC50 values below 35 nM, and several derivatives also exhibited significantly enhanced potency and high selectivity at the CB2 receptor over the CB1 receptor. Specifically, compound 26 showed the highest CB2 agonist activity (EC50 = 3.665 ± 0.553 nM) and remarkable selectivity (Selectivity Index > 2729) against CB1. In addition, logPs of some representative compounds were measured to display significantly decreased values in comparison with GW842166X. Furthermore, docking simulations were conducted to explain the interaction mode of this series.

INHIBITOR COMPOUNDS

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Page/Page column 63; 146-147, (2021/01/29)

The disclosure relates to heterocyclic compounds and methods for their preparation. The disclosure provides compounds that may have beneficial therapeutic activity in the treatment of a disease or condition mediated by excessive or otherwise undesirable Des1 and/or fibrotic activity.

Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N-methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs

Balazs, Amber,Barratt, Derek,Bista, Michal,Chuba, Matthew D.,Cosulich, Sabina,Critchlow, Susan E.,Degorce, Sébastien L.,Di Fruscia, Paolo,Edmondson, Scott D.,Embrey, Kevin,Fawell, Stephen,Ghosh, Avipsa,Gill, Sonja J.,Gunnarsson, Anders,Hande, Sudhir M.,Heightman, Tom D.,Hemsley, Paul,Illuzzi, Giuditta,Johannes, Jeffrey W.,Lane, Jordan,Larner, Carrie,Leo, Elisabetta,Liu, Lina,Madin, Andrew,Martin, Scott,McWilliams, Lisa,O'Connor, Mark J.,Orme, Jonathan P.,Pachl, Fiona,Packer, Martin J.,Pei, Xiaohui,Pike, Andrew,Schimpl, Marianne,She, Hongyao,Staniszewska, Anna D.,Talbot, Verity,Underwood, Elizabeth,Varnes, Jeffrey G.,Xue, Lin,Yao, Tieguang,Zhang, Andrew X.,Zhang, Ke,Zheng, Xiaolan

supporting information, p. 14498 - 14512 (2021/10/20)

Poly-ADP-ribose-polymerase (PARP) inhibitors have achieved regulatory approval in oncology for homologous recombination repair deficient tumors including BRCA mutation. However, some have failed in combination with first-line chemotherapies, usually due to overlapping hematological toxicities. Currently approved PARP inhibitors lack selectivity for PARP1 over PARP2 and some other 16 PARP family members, and we hypothesized that this could contribute to toxicity. Recent literature has demonstrated that PARP1 inhibition and PARP1-DNA trapping are key for driving efficacy in a BRCA mutant background. Herein, we describe the structure- and property-based design of 25 (AZD5305), a potent and selective PARP1 inhibitor and PARP1-DNA trapper with excellent in vivo efficacy in a BRCA mutant HBCx-17 PDX model. Compound 25 is highly selective for PARP1 over other PARP family members, with good secondary pharmacology and physicochemical properties and excellent pharmacokinetics in preclinical species, with reduced effects on human bone marrow progenitor cells in vitro.

FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE

-

Page/Page column 84-85, (2020/05/06)

The present invention provides flavone derivatives having the general formula (I) which are useful for the treatment of Hepatitis B Virus infection (HBV). The compounds act as cccDNA (covalently closed circular DMA) inhibitors.

BENZAMIDE DERIVATIVE

-

Paragraph 0083, (2018/08/20)

The present invention relates to a benzamide derivative of general formula I, a drug composition containing same and a use thereof as a drug, wherein the definitions of R1, Z and Q are as described in the description.

Piperazin-1-ylpyridazine Derivatives Are a Novel Class of Human dCTP Pyrophosphatase 1 Inhibitors

Llona-Minguez, Sabin,H?glund, Andreas,Ghassemian, Artin,Desroses, Matthieu,Calderón-Monta?o, José Manuel,Burgos Morón, Estefanía,Valerie, Nicholas C. K.,Wiita, Elisee,Alml?f, Ingrid,Koolmeister, Tobias,Mateus, André,Cazares-K?rner, Cindy,Sanjiv, Kumar,Homan, Evert,Loseva, Olga,Baranczewski, Pawel,Darabi, Masoud,Mehdizadeh, Amir,Fayezi, Shabnam,Jemth, Ann-Sofie,Warpman Berglund, Ulrika,Sigmundsson, Kristmundur,Lundb?ck, Thomas,Jenmalm Jensen, Annika,Artursson, Per,Scobie, Martin,Helleday, Thomas

, p. 4279 - 4292 (2017/06/05)

The dCTP pyrophosphatase 1 (dCTPase) is a nucleotide pool “housekeeping” enzyme responsible for the catabolism of canonical and noncanonical nucleoside triphosphates (dNTPs) and has been associated with cancer progression and cancer cell stemness. We have identified a series of piperazin-1-ylpyridazines as a new class of potent dCTPase inhibitors. Lead compounds increase dCTPase thermal and protease stability, display outstanding selectivity over related enzymes and synergize with a cytidine analogue against leukemic cells. This new class of dCTPase inhibitors lays the first stone toward the development of drug-like probes for the dCTPase enzyme.

BICYCLIC COMPOUND

-

Paragraph 1206, (2017/12/28)

Provided is a bicyclic compound having an acetyl-CoA carboxylase inhibitory action. A compound represented by the formula: wherein each symbol is as described in the DESCRIPTION, or a salt thereof has an acetyl-CoA carboxylase inhibitory action, is useful for the prophylaxis or treatment of cancer, inflammatory diseases and the like, and has superior efficacy.

Pyridazine derivative and preparation method and application thereof

-

, (2017/02/17)

The invention provides a pyridazine derivative and a pharmaceutically acceptable salt or hydrate of the pyridazine derivative. The compound is an active ligand of a novel cannabinoid II type receptor CB2. The compound and the pharmaceutically acceptable salt or hydrate of the compound generally have high calcium current activity and quite good selectivity for anthropogenic marijuana receptors CB2. The compound is a specificity agonist of the cannabinoid receptor CB2, and can be used for treating, preventing and inhibiting diseases mediated by CB2 receptors. The compound I has the general formula shown in the description.

1 -(PYRIDAZIN-3-YL)-IMIDAZOLIDIN-2-ONE DERIVATIVES AS HERBICIDES

-

Page/Page column 44; 45, (2015/05/26)

The invention relates to pyrrolone compounds of the formula (I) wherein R1, R2, R3, Rb, Rc and Rd are as defined in the specification. Furthermore, the present invention relates to processe

TrkA KINASE INHIBITORS,COMPOSITIONS AND METHODS THEREOF

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Page/Page column 49, (2015/12/08)

The present invention is directed to substituted five membered heteroaryl benzamide compounds compounds of formula (I), which are tropomyosin-related kinase (Trk) family protein kinase inhibitors, and hence are useful in the treatment of pain, inflammation, cancer, restenosis, atherosclerosis, psoriasis, thrombosis, a disease, disorder, injury, or malfunction relating to dysmyelination or demyelination or a disease or disorder associated with abnormal activities of nerve growth factor (NGF) receptor TrkA.

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