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6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one is a heterocyclic chemical compound characterized by its molecular formula C6H4ClN3O. It features a pyrazolo-pyrimidinone structure, which is known for its potential in medicinal chemistry and pharmaceutical research. The presence of the chloro substitution in the molecule endows it with unique properties, potentially enhancing its reactivity and pharmacological profile, thus making it a promising candidate for drug discovery and development.

42754-97-2

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42754-97-2 Usage

Uses

Used in Medicinal Chemistry:
6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one is utilized as a key intermediate in the synthesis of various pharmaceutical compounds. Its ability to participate in diverse chemical reactions allows for the formation of a wide range of derivatives with potential biological activities, making it a valuable component in the development of new drugs.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one serves as a starting material for the design and synthesis of novel therapeutic agents. Its unique structural features and potential to form biologically active derivatives contribute to the exploration of new treatment options for various diseases and conditions.
Used in Drug Discovery:
6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one is employed as a target molecule in drug discovery processes. Its unique properties and potential to form derivatives with pharmacological activities make it an interesting subject for further research and development, with the aim of identifying new drug candidates with improved efficacy and safety profiles.
Used in Drug Development:
In the drug development field, 6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one is used as a building block for the creation of innovative pharmaceutical formulations. Its versatility in chemical reactions and potential to generate biologically active compounds contribute to the advancement of new drug therapies and the improvement of existing ones.
Used in Chemical Synthesis:
6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one is utilized as a versatile reagent in chemical synthesis processes. Its ability to form a wide range of derivatives with potential applications in various industries, including pharmaceuticals, agrochemicals, and materials science, highlights its importance as a synthetic building block.
Used in Research and Development:
6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one is employed as a subject of research and development in various scientific fields. Its unique structural features and potential applications in medicinal chemistry and pharmaceutical research make it an attractive target for further exploration and innovation, with the aim of discovering new applications and improving existing ones.

Check Digit Verification of cas no

The CAS Registry Mumber 42754-97-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,2,7,5 and 4 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 42754-97:
(7*4)+(6*2)+(5*7)+(4*5)+(3*4)+(2*9)+(1*7)=132
132 % 10 = 2
So 42754-97-2 is a valid CAS Registry Number.
InChI:InChI=1/C5H3ClN4O/c6-5-8-3-2(1-7-10-3)4(11)9-5/h1H,(H2,7,8,9,10,11)

42754-97-2SDS

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 6-chloro-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

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:42754-97-2 SDS

42754-97-2Relevant academic research and scientific papers

Discovery of 6-[(3 S,4 S)-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor

Burke, Jason P.,Carroll, Christopher L.,Cross, Jason B.,Czako, Barbara,Di Francesco, Maria Emilia,Draetta, Giulio,Feng, Ningping,Harris, Angela L.,Heffernan, Timothy,Jiang, Yongying,Jones, Philip,Kang, Zhijun,Kohl, Nancy E.,Kovacs, Jeffrey J.,Leonard, Paul G.,Mandal, Pijus,Marszalek, Joseph. R.,McAfoos, Timothy,Meyers, Brooke A.,Mseeh, Faika,Parker, Connor A.,Sun, Yuting,Williams, Christopher C.,Wu, Qi,Yu, Simon S.

, p. 15141 - 15169 (2021/11/01)

Src homology 2 (SH2) domain-containing phosphatase 2 (SHP2) plays a role in receptor tyrosine kinase (RTK), neurofibromin-1 (NF-1), and Kirsten rat sarcoma virus (KRAS) mutant-driven cancers, as well as in RTK-mediated resistance, making the identification of small-molecule therapeutics that interfere with its function of high interest. Our quest to identify potent, orally bioavailable, and safe SHP2 inhibitors led to the discovery of a promising series of pyrazolopyrimidinones that displayed excellent potency but had a suboptimal in vivo pharmacokinetic (PK) profile. Hypothesis-driven scaffold optimization led us to a series of pyrazolopyrazines with excellent PK properties across species but a narrow human Ether-à-go-go-Related Gene (hERG) window. Subsequent optimization of properties led to the discovery of the pyrimidinone series, in which multiple members possessed excellent potency, optimal in vivo PK across species, and no off-target activities including no hERG liability up to 100 μM. Importantly, compound 30 (IACS-15414) potently suppressed the mitogen-activated protein kinase (MAPK) pathway signaling and tumor growth in RTK-activated and KRASmut xenograft models in vivo.

HETEROCYCLIC INHIBITORS OF PTPN11

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Paragraph 0155-0157, (2017/09/27)

The present invention relates to compounds which may be useful as inhibitors of PTPN11 for the treatment or prevention of cancer and other PTP-mediated diseases. The compounds are based on various substituted ring-fused pyrimidin-4-ones.

HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS

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, (2017/05/31)

Inhibitors of sepiapterin reductase of formula (I) or (I'), wherein the substituents are defined as in the claims, and uses of sepiapterin reductase inhibitors in analgesia, treatment of acute and chronic pain, anti-inflammation, and immune cell regulation are disclosed.

PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE

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Page/Page column 85; 86, (2014/01/08)

There are provided compounds of the formula (I) or a pharmaceutically acceptable salt thereof, wherein Q, R1 and R2 are as defined herein. The compounds of formula I are useful in the treatment of cancer.

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