178311-48-3

Basic information

• Product Name: 1-(TERT-BUTOXYCARBONYL)-3-(1-PIPERAZINYL)AZETIDINE
• Synonyms: 1-(TERT-BUTOXYCARBONYL)-3-(1-PIPERAZINYL)AZETIDINE;tert-butyl 3-(piperazin-1-yl)azetidine-1-carboxylate;3-(Piperazin-1-yl)azetidine-1-carboxylic acid tert-butyl ester;tert-Butyl 3-(1-piperazinyl)-1-azetidinecarboxylate;1-Boc-3-(1-piperazinyl)azetidine 2HCl;1-N-Boc-3-(1-piperazine)azetidine
• CAS NO: 178311-48-3
• Molecular Formula: C12H23N3O2
• Molecular Weight: 241.33
• Mol File: 178311-48-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 337.3±37.0 °C(Predicted)
• Appearance: /
• Density: 1.115
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 9.12±0.10(Predicted)
• CAS DataBase Reference: 1-(TERT-BUTOXYCARBONYL)-3-(1-PIPERAZINYL)AZETIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(TERT-BUTOXYCARBONYL)-3-(1-PIPERAZINYL)AZETIDINE(178311-48-3)
• EPA Substance Registry System: 1-(TERT-BUTOXYCARBONYL)-3-(1-PIPERAZINYL)AZETIDINE(178311-48-3)

Safety Data

• Hazardous Substances Data: 178311-48-3(Hazardous Substances Data)

Usage

Description

1-(TERT-BUTOXYCARBONYL)-3-(1-PIPERAZINYL)AZETIDINE, also known as tert-Butyl 3-(piperazin-1-yl)azetidine-1-carboxylate dihydrochloride, is a chemical compound that serves as a key reactant in the synthesis of biologically active molecules. It features a unique azetidine ring structure with a tert-butoxycarbonyl group and a piperazinyl substituent, which contribute to its reactivity and potential applications in medicinal chemistry.

Uses

Used in Pharmaceutical Industry:
1-(TERT-BUTOXYCARBONYL)-3-(1-PIPERAZINYL)AZETIDINE is used as a reactant for the preparation of allele-specific inhibitors that target the mutant KRAS G12C protein. This application is significant because the compound plays a crucial role in the development of targeted therapies for cancer treatment.
The mutant KRAS G12C protein is a common genetic mutation found in various types of cancer, including non-small cell lung cancer, colorectal cancer, and pancreatic cancer. By inactivating this specific mutation through a trapping mechanism, the inhibitors synthesized using 1-(TERT-BUTOXYCARBONYL)-3-(1-PIPERAZINYL)AZETIDINE can potentially lead to the suppression of tumor growth and improved patient outcomes.

Upstream product

• 398489-26-4 tert-butyl 3-oxoazetidine-1-carboxylate 
• 110-85-0 piperazine 
• 141699-58-3 3-methanesulfonyloxy-azetidine-1-carboxylic acid tert-butyl ester 

Relevant articles and documents

Compound with degrading STAT3 enzyme and preparation method and pharmaceutical application thereof

The present invention relates to a compound represented by general formula (I) or a stereoisomer thereof. Use of deuterated, solvates, prodrugs, metabolites, pharmaceutically acceptable salts or co-crystals, and intermediates and preparation methods, and in STAT3-related diseases such as tumors. B-L-K(I).

3-Azetidinylalkylpiperidines or -pyrrolidines as tachykinin antagonists

The present invention provides compounds of formula (I) and the pharmaceutically acceptable salts thereof. Such compounds and salts are tachykinin antagonists.

3-aza and 3-oxa piperidone tachykinin antagonists

Compounds of the formula: STR1 wherein: X is O, NH or NR1 ; R1 is C1 -C6 alkyl, C3 -C7 cycloalkyl, C3 -C7 cycloalkyl(C1 -C4)alkyl, aryl or aryl (C1 -C4)alkyl; wherein the C1 -C6 alkyl group is optionally substituted by fluorine and the C3 -C7 cycloalkyl or C3 -C7 cycloalkyl(C1 -C4 )alkyl group is optionally substituted in the cycloalkyl ring by up to two substituents each independently selected from halo, C1 -C4 alkoxy or halo(C1 -C4)alkoxy; R2 is phenyl optionally substituted with one or two halo substituents, indolyl or thienyl; R3 is NH2, --NR4 SO2 (C1 -C6 alkyl), --NR4 SO2 aryl, --NR4 CO(C1 -C6 alkyl), --NR4 CO aryl or a 5 to 7-membered N-linked cyclic group incorporating W in the ring wherein W is O, NR5, CH(OH), CHCO2 H, CHN(R4)2, CHF, CF2, C=O or CH2 ; R4 is H or C1 -C6 alkyl; R5 is H, C1 -C6 alkyl, C3 -C7 cycloalkyl, C3 -C7 cycloalkyl(C1 -C6)alkyl, C2 -C6 alkanoyl, C4 -C8 cycloalkanoyl, C3 -C7 cycloalkyl(C2 -C6)alkanoyl, aryl CO--, C1 -C6 alkyl SO2 --, C3 -C7 cycloalkyl SO2 --, C3 -C7 cycloalkyl(C1 -C6)alkyl SO2 --, aryl-SO2 -- or (R6)2 NSO2 --, wherein each R6 is independently H or C1 -C4 alkyl or the two groups may be joined to form with the nitrogen atom to which they are attached, a pyrrolidinyl, piperidino, morphlino or piperazinyl group; m is 0, 1 or 2 with the proviso that m is not 0 when W is NR5, C=O, or O; and n is an integer of from 1 to 4; are neurokinin receptor antagonists of utility in the treatment of a variety of medical conditions including urinary incontinence, asthma and related conditions.