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2-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE is an intermediate pyrrolo-pyrimidine compound that serves as a crucial building block in the synthesis of various pharmaceuticals, particularly those targeting tyrosine kinases. Its unique chemical structure allows for the development of potent and selective inhibitors, making it a valuable asset in the field of medicinal chemistry.

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  • 335654-06-3 Structure
  • Basic information

    1. Product Name: 2-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE
    2. Synonyms: 2-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE;2-Chloro-1H-pyrrolo[2,3-d]pyrimidine;2-Chloro-7H-pyrrolo[2,3-d...;2-Chloro-7-deazapurine;7H-Pyrrolo[2,3-d]pyriMidine,2-chloro-;1H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-
    3. CAS NO:335654-06-3
    4. Molecular Formula: C6H4ClN3
    5. Molecular Weight: 153.57
    6. EINECS: N/A
    7. Product Categories: Amines;Bases & Related Reagents;Intermediates;Nucleotides;Tyrosine Kinase Inhibitors;Heterocycle-Pyrimidine series
    8. Mol File: 335654-06-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 318.271 °C at 760 mmHg
    3. Flash Point: 146.285 °C
    4. Appearance: /
    5. Density: 1.61 g/cm3
    6. Refractive Index: 1.72
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 11.18±0.50(Predicted)
    10. CAS DataBase Reference: 2-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE(335654-06-3)
    12. EPA Substance Registry System: 2-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE(335654-06-3)
  • Safety Data

    1. Hazard Codes: Xi,T
    2. Statements: 25
    3. Safety Statements: 45-24/25
    4. RIDADR: UN2811
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 335654-06-3(Hazardous Substances Data)

335654-06-3 Usage

Uses

Used in Pharmaceutical Industry:
2-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE is used as an intermediate compound for the development of tyrosine kinase inhibitors. These inhibitors play a vital role in the treatment of various diseases, including cancer, by targeting and disrupting the activity of specific tyrosine kinases involved in cell signaling pathways.
Used in the Preparation of STAT6 Inhibitors:
2-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE is also used as an intermediate in the synthesis of oral signal transducers and activators of transcription 6 (STAT6) inhibitors. STAT6 is a transcription factor that plays a significant role in the regulation of immune responses and has been implicated in the pathogenesis of various diseases, including autoimmune disorders and cancer. By inhibiting STAT6, these compounds can potentially modulate immune responses and offer therapeutic benefits in treating these conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 335654-06-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,3,5,6,5 and 4 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 335654-06:
(8*3)+(7*3)+(6*5)+(5*6)+(4*5)+(3*4)+(2*0)+(1*6)=143
143 % 10 = 3
So 335654-06-3 is a valid CAS Registry Number.
InChI:InChI=1/C6H4ClN3/c7-6-9-3-4-1-2-8-5(4)10-6/h1-3H,(H,8,9,10)

335654-06-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Chloro-7H-pyrrolo[2,3-d]pyrimidine

1.2 Other means of identification

Product number -
Other names 2-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE

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:335654-06-3 SDS

335654-06-3Relevant articles and documents

Preparation method of 5-bromo-2-chloro-7H-pyrrolo [2, 3-d] pyrimidine

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Paragraph 0008; 0022-0024, (2020/05/08)

The invention discloses a preparation method of 5-bromo-2-chloro-7H-pyrrolo[2, 3-b] pyridine. According to the method, 2,4-chloro-7H-pyrrolo[2, 3-d] pyrimidine is used as a starting raw material, in the presence of zinc powder and acetic acid, selective d

Preparation method of MER/FLT3 dual-inhibitor intermediate

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Paragraph 0044; 0065; 0083-0087, (2018/02/04)

The invention discloses a preparation method of an MER/FLT3 dual-inhibitor intermediate, namely, trans-4(5-bromo-2-chloro-7H-pyrrole[2,3-d] pyrimidine-7-yl)-cyclohexanol. The preparation method comprises steps as follows: a compound II is taken as a raw m

Method for selective dehalogenation in pyrimidine fused ring

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Paragraph 0030; 0031; 0032, (2016/10/10)

The invention discloses a method for selective dehalogenation in pyrimidine fused ring. Through heating reaction between zinc powder and acetic acid solution, selective dehalogenation is conducted on pyrimidine ring to maintain original substituents on pyrimidine ring and fused ring. The method comprises few operation steps with high yield, and is applicable to mass production.

2,6-DICHLORO-8-IODO-7-DEAZAPURINE FOR SYNTHESIZING POLYSUBSTITUTED 7-DEAZAPURINE DERIVATIVE

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, (2017/01/31)

PROBLEM TO BE SOLVED: To overcome many times and labors needed for synthesizing various polysubstituted 7-deazapurine derivatives which is expected usefulness or the like as pharmaceutical because they are conventionally synthesized through several synthetic routes depending on kinds and positions of substituents. SOLUTION: Used is 2,6-dichloro-8-iodo-7-deazapurine represented by the following formula (1) available as a key intermediate of polysubstituted 7-deazapurine derivatives. Predetermined substituents can be introduced to 8-, m6- and 2-positions respectively in this order, therefor it is useful as an intermediate for synthesizing targeted polysubstituted 7-deazapurine derivative. SELECTED DRAWING: None COPYRIGHT: (C)2016,JPOandINPIT

COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS

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Page/Page column 73, (2015/03/28)

The present application provides novel optionally substituted fused pyridine and pyrimidine bicyclic compounds and pharmaceutically acceptable salts thereof. Also provided are methods for preparing these compounds. These compounds are useful in co-regulating FAK and/or Src activity by administering a therapeutically effective amount of one or more of the compounds to a subject. By doing so, these compounds are effective in treating conditions associated with the dysregulation of the FAK and/or Src pathway. Advantageously, these compounds perform as dual FAK and/or Src inhibitors. A variety of conditions can be treated using these compounds and include diseases which are characterized by inflammation or abnormal cellular proliferation. In one embodiment, the disease is cancer.

Novel Mps1 kinase inhibitors: From purine to pyrrolopyrimidine and quinazoline leads

Bursavich, Matthew G.,Dastrup, David,Shenderovich, Mark,Yager, Kraig M.,Cimbora, Daniel M.,Williams, Brandi,Kumar, D. Vijay

, p. 6829 - 6833 (2014/01/06)

Mps1, also known as TTK, is a mitotic checkpoint protein kinase that has become a promising new target of cancer research. In an effort to improve the lead-likeness of our recent Mps1 purine lead compounds, a scaffold hopping exercise has been undertaken.

NEW CHEMICAL COMPOUNDS

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Page/Page column 91-92, (2010/04/03)

The present invention encompasses compounds of general formula (1) while the groups R4 to R7 and the units W, L, Qa and QH are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use as medicaments having the above-mentioned properties.

NEW CHEMICAL COMPOUNDS

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Page/Page column 125-126, (2010/04/03)

The present invention encompasses compounds of general formula (1) wherein the units W, A, L, Q1 and QH are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use as medicaments having the above-mentioned properties.

HETEROCYCLIC COMPOUNDS

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Page/Page column 30; 31, (2009/08/18)

The invention relates to compounds of formula I and salts thereof wherein the substituents are as defined in the specification, processes for the preparation thereof; to pharmaceuticals containing such compounds, in particular for the use in one or more Protein tyrosine kinase mediated diseases.

Design and synthesis of 7H-pyrrolo[2,3-d]pyrimidines as focal adhesion kinase inhibitors. Part 1

Choi, Ha-Soon,Wang, Zhicheng,Richmond, Wendy,He, Xiaohui,Yang, Kunyong,Jiang, Tao,Sim, Taebo,Karanewsky, Donald,Gu, Xiang-Ju,Zhou, Vicki,Liu, Yi,Ohmori, Osamu,Caldwell, Jeremy,Gray, Nathanael,He, Yun

, p. 2173 - 2176 (2007/10/03)

A series of 2-amino-9-aryl-7H-pyrrolo[2,3-d]pyrimidines were designed and synthesized to target focal adhesion kinase (FAK). A number of these pyrrolopyrimides exhibited low micromolar inhibitory activities against focal adhesion kinase, and their prelimi

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