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1314138-13-0

5,6-dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-Pyrrolo[1,2-b]pyrazole is a chemical compound belonging to the class of pyrroles, which are heterocyclic organic compounds with a five-membered ring containing two nitrogen atoms. This specific compound features a 1,3,2-dioxaborolan group attached to the 3-position of the pyrrolo[1,2-b]pyrazole structure, which is significant for its synthetic utility in chemical reactions.

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  • 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazole

    Cas No: 1314138-13-0

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  • 1314138-13-0 Structure

  • Basic information

    1. Product Name: 5,6-dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-Pyrrolo[1,2-b]pyrazole
    2. Synonyms: 5,6-dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-Pyrrolo[1,2-b]pyrazole;3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazole;3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
    3. CAS NO:1314138-13-0
    4. Molecular Formula: C12H19BN2O2
    5. Molecular Weight: 234.10246
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1314138-13-0.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 361.1±30.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.16±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 2.59±0.20(Predicted)
    10. CAS DataBase Reference: 5,6-dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-Pyrrolo[1,2-b]pyrazole(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5,6-dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-Pyrrolo[1,2-b]pyrazole(1314138-13-0)
    12. EPA Substance Registry System: 5,6-dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-Pyrrolo[1,2-b]pyrazole(1314138-13-0)

  • 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: 1314138-13-0(Hazardous Substances Data)

1314138-13-0 Usage

Uses

Used in Pharmaceutical Industry:
5,6-dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-Pyrrolo[1,2-b]pyrazole is used as a synthetic intermediate for the preparation of pyrimidine derivatives. These derivatives are of significant interest due to their potential application as human PI3K-delta inhibitors, which are important targets for the development of therapeutics to treat various diseases, including cancer and autoimmune disorders.
Used in Chemical Synthesis:
In the field of chemical synthesis, 5,6-dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-Pyrrolo[1,2-b]pyrazole serves as a versatile building block for the creation of more complex molecules. The presence of the 1,3,2-dioxaborolan group allows for selective functionalization and further elaboration of the molecule, making it a valuable tool in the synthesis of a wide range of compounds with diverse biological activities and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1314138-13-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,1,4,1,3 and 8 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1314138-13:
(9*1)+(8*3)+(7*1)+(6*4)+(5*1)+(4*3)+(3*8)+(2*1)+(1*3)=110
110 % 10 = 0
So 1314138-13-0 is a valid CAS Registry Number.

1314138-13-0Downstream Products

1314138-13-0Relevant articles and documents

Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies

Barlaam, Bernard,Casella, Robert,Cidado, Justin,Cook, Calum,De Savi, Chris,Dishington, Allan,Donald, Craig S.,Drew, Lisa,Ferguson, Andrew D.,Ferguson, Douglas,Glossop, Steve,Grebe, Tyler,Gu, Chungang,Hande, Sudhir,Hawkins, Janet,Hird, Alexander W.,Holmes, Jane,Horstick, James,Jiang, Yun,Lamb, Michelle L.,McGuire, Thomas M.,Moore, Jane E.,O'Connell, Nichole,Pike, Andy,Pike, Kurt G.,Proia, Theresa,Roberts, Bryan,San Martin, Maryann,Sarkar, Ujjal,Shao, Wenlin,Stead, Darren,Sumner, Neil,Thakur, Kumar,Vasbinder, Melissa M.,Varnes, Jeffrey G.,Wang, Jianyan,Wang, Lei,Wu, Dedong,Wu, Liangwei,Yang, Bin,Yao, Tieguang

, p. 15564 - 15590 (2021/01/09)

A CDK9 inhibitor having short target engagement would enable a reduction of Mcl-1 activity, resulting in apoptosis in cancer cells dependent on Mcl-1 for survival. We report the optimization of a series of amidopyridines (from compound 2), focusing on properties suitable for achieving short target engagement after intravenous administration. By increasing potency and human metabolic clearance, we identified compound 24, a potent and selective CDK9 inhibitor with suitable predicted human pharmacokinetic properties to deliver transient inhibition of CDK9. Furthermore, the solubility of 24 was considered adequate to allow i.v. formulation at the anticipated effective dose. Short-term treatment with compound 24 led to a rapid dose- and time-dependent decrease of pSer2-RNAP2 and Mcl-1, resulting in cell apoptosis in multiple hematological cancer cell lines. Intermittent dosing of compound 24 demonstrated efficacy in xenograft models derived from multiple hematological tumors. Compound 24 is currently in clinical trials for the treatment of hematological malignancies.

Chemical Compounds

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, (2017/01/19)

Provided are a series of novel pyridine or pyrimidine derivatives which inhibit CDK9 and may be useful for the treatment of hyperproliferative diseases. In particular the compounds are of use in the treatment of proliferative disease such as cancer including hematological malignancies such as acute myeloid leukemia, multiple myeloma, chronic lymphocytic leukemia, diffuse large B cell lymphoma, Burkitt's lymphoma, follicular lymphoma and solid tumors such as breast cancer, lung cancer, neuroblastoma and colon cancer.

ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS

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Paragraph 0148, (2016/10/31)

The present invention is directed to aryloxymethyl cyclopropane derivatives which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 10 (PDE10). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.

PYRAZOLYL DERIVATIVES AS SYK INHIBITORS

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Page/Page column 135-136, (2014/01/09)

The present invention provides novel pyrazole derivatives of formula I which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD, rheumatoid arthritis, and cancer.

2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS

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Paragraph 00250, (2013/04/24)

The invention provides certain 2-pyridyl carboxamide-containing compounds of the Formula (I) or pharmaceutically acceptable salts thereof, wherein A and B are as defined herein. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using the compounds for treating diseases or conditions mediated by Spleen Tyrosine Kinase (Syk) kinase.

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