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903129-71-5

TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE is a chemical compound belonging to the pyrrolopyrimidine family. It is a tert-butyl ester derivative of 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylic acid, known for its potential anti-cancer, anti-inflammatory, and anti-viral properties. The tert-butyl group enhances its stability and bioavailability, making it a promising candidate for drug development in the field of medicinal chemistry.

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  • 903129-71-5 Structure

  • Basic information

    1. Product Name: TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE
    2. Synonyms: TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE;2,4-Dichloro-6,7-dihydro-6-Boc-5H-pyrrolo[3,4-d]pyrimidine;tert-butyl 2,4-dichloro-5H-pyrrolo[3,4-;6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylicacid, 2,4-dichloro-5,7-dihydro-, 1,1-dimethylethyl ester;tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyriMidine-6(7H)-carbox;tert-butyl 2,4-dichloro-5H,6H,7H-pyrrolo[3,4-d]pyriMidine-6-carboxylate;6-Boc-2,4-Dichloro-5,7-dihydropyrrolo[3,4-d]pyriMidine;6-Boc-2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyriMidine
    3. CAS NO:903129-71-5
    4. Molecular Formula: C11H13Cl2N3O2
    5. Molecular Weight: 290.15
    6. EINECS: 1533716-785-6
    7. Product Categories: CHIRAL CHEMICALS;Heterocycle-Pyrimidine series
    8. Mol File: 903129-71-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 405.8 °C at 760 mmHg
    3. Flash Point: 199.2 °C
    4. Appearance: /
    5. Density: 1.401 g/cm3
    6. Vapor Pressure: 8.53E-07mmHg at 25°C
    7. Refractive Index: 1.572
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: -2.24±0.20(Predicted)
    11. CAS DataBase Reference: TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE(CAS DataBase Reference)
    12. NIST Chemistry Reference: TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE(903129-71-5)
    13. EPA Substance Registry System: TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE(903129-71-5)

  • 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: 903129-71-5(Hazardous Substances Data)

903129-71-5 Usage

Uses

Used in Pharmaceutical Development:
TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE is used as a key intermediate in the synthesis of pharmaceutical drugs for its potential anti-cancer, anti-inflammatory, and anti-viral properties.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE is used as a research compound to explore its therapeutic potential and optimize its properties for drug development.
Used in Drug Stability and Bioavailability Enhancement:
The tert-butyl group in TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE is used to improve the stability and bioavailability of the compound, making it a more effective candidate for drug development.
Used in Cancer Treatment:
TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE is used as a potential anti-cancer agent in oncology research, targeting various types of cancer through its therapeutic properties.
Used in Inflammation Management:
In the field of inflammation management, TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE is used as a potential anti-inflammatory agent to study its effects on reducing inflammation and related conditions.
Used in Antiviral Therapy:
TERT-BUTYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE is used as a potential anti-viral agent in virology research, exploring its ability to inhibit viral replication and treat viral infections.

Check Digit Verification of cas no

The CAS Registry Mumber 903129-71-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,0,3,1,2 and 9 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 903129-71:
(8*9)+(7*0)+(6*3)+(5*1)+(4*2)+(3*9)+(2*7)+(1*1)=145
145 % 10 = 5
So 903129-71-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H13Cl2N3O2/c1-11(2,3)18-10(17)16-4-6-7(5-16)14-9(13)15-8(6)12/h4-5H2,1-3H3

903129-71-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

1.2 Other means of identification

Product number -
Other names tert-butyl 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

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:903129-71-5 SDS

903129-71-5Relevant articles and documents

INHIBITORS OF KRAS G12C

-

Paragraph 0118, (2021/04/02)

Disclosed herein are compounds that inhibit KRas G12C, pharmaceutical compositions, methods of preparation and uses thereof.

Pyrrolidine [3,4-d] pyrimidine derivatives, preparation method and its application

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Paragraph 0114-0116, (2016/12/01)

The invention discloses a pyrrolidine[3,4-d]pyrimidine derivative and a preparation method and an application thereof. The pyrrolidine[3,4-d]pyrimidine derivative is an inhibitor of a type I insulin-like growth factor receptor (IGF-1R), and has a good IGF-1R inhibiting function and a good cancer cell proliferation inhibiting function, so that the pyrrolidine[3,4-d]pyrimidine derivative can be taken as a therapeutic agent for treating tumors and relevant diseases.

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