365996-87-8

Basic information

• Product Name: tert-butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
• Synonyms: tert-butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate;tert-butyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate;4-d]pyriMidine-6(7H)-carboxylate;tert-butyl 2-(Methylsulfonyl)-5H-pyrrolo[3;2-Methanesulfonyl-5,7-dihydro-pyrrolo[3,4-d]pyriMidine -6-carboxylic acid tert-butyl ester;6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 5,7-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester;-5H-pyrrolo[3,4-d]pyrimidine-6(7H);tert-Butyl 2-(methylsulfonyl)
• CAS NO: 365996-87-8
• Molecular Formula: C₁₂H₁₇N₃O₄S
• Molecular Weight: 299.35
• Product Categories: CHIRAL CHEMICALS
• Mol File: 365996-87-8.mol

Chemical Properties

• Boiling Point: 481.207 °C at 760 mmHg
• Flash Point: 244.825 °C
• Appearance: /
• Density: 1.33 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.552
• Storage Temp.: 2-8°C
• CAS DataBase Reference: tert-butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate(365996-87-8)
• EPA Substance Registry System: tert-butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate(365996-87-8)

Safety Data

• Hazardous Substances Data: 365996-87-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Development:
Tert-butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate is used as a chemical intermediate in the synthesis of various pharmaceutical drugs. Its unique structure allows it to be a key component in the development of new medications with potential therapeutic benefits.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, tert-butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate serves as a valuable compound for research purposes. Its properties and reactivity can be studied to understand its potential interactions with biological targets, which may lead to the discovery of new drug candidates or therapeutic agents.
Used in Drug Design and Optimization:
tert-butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate's specific functional groups and structural features make it suitable for use in drug design and optimization processes. Researchers can modify its structure to improve pharmacokinetic and pharmacodynamic properties, potentially enhancing the efficacy and safety of resulting drug molecules.
Used in Biochemical Studies:
Tert-butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate can be employed in biochemical studies to investigate its interactions with enzymes, receptors, or other biological molecules. This can provide insights into its potential biological activities and mechanisms of action, which are crucial for its application in drug development.

InChI:InChI=1/C12H17N3O4S/c1-12(2,3)19-11(16)15-6-8-5-13-10(20(4,17)18)14-9(8)7-15/h5H,6-7H2,1-4H3

Upstream product

• 365996-86-7 tert-Butyl 2-(methylsulfanyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate 
• 905274-02-4 tert-butyl (3Z)-3-[(dimethylamino)methylene]-4-oxopyrrolidine-1-carboxylate 
• 101385-93-7 3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester 

Downstream Products

• 947305-16-0 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile 

Relevant articles and documents

FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES

The present invention discloses compounds according to Formula I: Wherein A, B, R1, R2, and Cy are as defined herein. The present invention relates to compounds inhibiting autotaxin (NPP2 or ENPP2), methods for their production, pharmaceutical compositions comprising the same, and methods of treatment using the same, for the prophylaxis and/or treatment of fibrotic diseases, proliferative diseases, inflammatory diseases, autoimmune diseases, respiratory diseases, cardiovascular diseases, neurodegenerative diseases, dermatological disorders, pain, and/or abnormal angiogenesis associated diseases by administering the compounds of the invention.

INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X

The disclosure provides novel chemical compounds useful as inhibitors of ubiquitin specific peptidase 9X (USP9X). USP9X inhibiting compounds are useful in the treatment of disease and disorders associated with modulation of USP9X, such as cancer.

AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES

The present invention is directed to novel substituted aminocyclohexanes which are inhibitors of the dipeptidyl peptidase-IV enzyme (""DPP-IV inhibitors"") and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

DIAMINE DERIVATIVES

A compound represented by formula (1):Q1-Q2-To-N(R1) -Q3-N(R2)-T1-Q4 [wherein R1 and R2 are hydrogen atoms or the like; Q1 is a saturated or unsaturated, 5- or 6- membered cyclic hydrocarbon group which may be substituted, or the like; Q2 is a single bond or the like; Q3 represents the following group: (wherein Q5 is an alkylene group having 1 to 8 carbon atoms, or the like); and T0 and T1 are carbonyl groups or the like], a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after artificial valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

NOVEL ETHYLENEDIAMINE DERIVATIVES

A compound represented by the following formula (1):Q-Q-T-N(R)-Q-N(R)-T-Q [wherein, R1 and R2 are hydrogen atoms or the like; Q1 is a saturated or unsaturated, 5- or 6- membered cyclic hydrocarbon group which may have a substituent, or the like; Q2 is a single bond or the like; Q3 represents the following group: -C(R3a)(R4a)-{C(R3b)(R4b)}m1-{C(R3c)(R4c)}m2-{C(R3d)(R4d)}m3-{C(R3e)(R4e)}m4-C(R3f)(R4f)- (in which, R3a to R4e represent hydrogen or the like); T0 represents a carbonyl group or the like; and T1 represents -COCONR- or the like]; or salt thereof, solvate thereof, or N-oxide thereof. The compound is useful as a preventive and/or therapeutic agent for cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

DIAMINE DERIVATIVES

A compound represented by the general formula (1):Q1-Q2-T0-N(R1)-Q3-N(R2)-T1-Q4 wherein R1 and R2 are hydrogen atoms or the like; Q1 is a saturated or unsaturated, 5- or 6- membered cyclic hydrocarbon group which may be substituted, or the like; Q2 is a single bond or the like; Q3 is a group in which Q5 is an alkylene group having 1 to 8 carbon atoms, or the like; and T0 and T1 are carbonyl groups or the like; a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

ETHYLENEDIAMINE DERIVATIVES

The invention relates a compound represented by the formula (1):Q1-Q2-C(=O)-N(R1)-Q3-N(R2)-T1-Q4 wherein R1 and R2 represent H or the like; Q1 represents an aromatic ring, heterocyclic ring or the like; Q2 represents a single bond, aromatic ring, heterocyclic ring or the like; Q3 represents a group or the like, Q4 represents an aromatic ring, heterocyclic ring or the like; and T1 represents -CO- or -SO2-, and a medicine which comprises the compound and is useful for thrombosis and embolism.