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4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is a piperidine derivative featuring a piperidine ring with a tert-butyl ester group and a toluene-4-sulfonyloxy group. This chemical compound is recognized for its unique structure and reactivity, making it a valuable building block in organic synthesis and pharmaceutical research for the development of bioactive molecules and novel therapeutic agents for various medical conditions.

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  • 1-Piperidinecarboxylicacid, 4-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester

    Cas No: 118811-07-7

  • USD $ 1.9-2.9 / Gram

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  • 118811-07-7 Structure
  • Basic information

    1. Product Name: 4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    2. Synonyms: N-BOC-4-TOXYLOXY-PIPERIDINE;4-(Toluene-4-sulfonyloxy)piperidine-1-carboxylic acid tert-butyl ester;1-Boc-4-(tosyloxy)piperidine;(1-BOC-piperidin-4-yl)tosylate;t-Butyl 4-(tosyloxy)piperidine-1-carboxylate;tert-butyl 4-(tosyloxy)piperidine-1-carboxylate;1-Piperidinecarboxylic acid, 4-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester;1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine
    3. CAS NO:118811-07-7
    4. Molecular Formula: C17H25NO5S
    5. Molecular Weight: 355.45
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 118811-07-7.mol
  • Chemical Properties

    1. Melting Point: 96.0 to 100.0 °C
    2. Boiling Point: 475.282 °C at 760 mmHg
    3. Flash Point: 241.242 °C
    4. Appearance: /
    5. Density: 1.237 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.553
    8. Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
    9. Solubility: soluble in Methanol
    10. PKA: -2.97±0.40(Predicted)
    11. CAS DataBase Reference: 4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(118811-07-7)
    13. EPA Substance Registry System: 4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(118811-07-7)
  • 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: 118811-07-7(Hazardous Substances Data)

118811-07-7 Usage

Uses

Used in Pharmaceutical Research:
4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is used as a building block for the synthesis of bioactive molecules, contributing to the discovery and development of new drugs for a wide range of medical conditions.
Used in Organic Synthesis:
In the field of organic synthesis, 4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is utilized for the creation of complex organic compounds, leveraging its unique reactivity and structural features to facilitate the synthesis of target molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 118811-07-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,8,8,1 and 1 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 118811-07:
(8*1)+(7*1)+(6*8)+(5*8)+(4*1)+(3*1)+(2*0)+(1*7)=117
117 % 10 = 7
So 118811-07-7 is a valid CAS Registry Number.
InChI:InChI=1/C17H25NO5S/c1-13-5-7-15(8-6-13)24(20,21)23-14-9-11-18(12-10-14)16(19)22-17(2,3)4/h5-8,14H,9-12H2,1-4H3

118811-07-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(Toluene-4-Sulfonyloxy)-Piperidine-1-Carboxylic Acid Tert-Butyl Ester

1.2 Other means of identification

Product number -
Other names tert-Butyl 4-(p-Toluenesulfonyloxy)piperidine-1-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:118811-07-7 SDS

118811-07-7Relevant articles and documents

Discovery and optimization of a potent and selective indazolamine series of IRAK4 inhibitors

Zhai, Wenqiang,Lu, Yongping,Zhu, Yabo,Zhou, Mengguang,Ye, Cheng,Shi, Zheng-Zheng,Qian, Wenjian,Hu, Taishan,Chen, Lei

, (2021)

IRAK4 is a key mediator of innate immunity. There is a high interest in identifying novel IRAK4 inhibitors for the treatment of inflammatory autoimmune diseases. We describe here a highly potent and selective IRAK4 inhibitor (HS271) that exhibited superio

Design of a "two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites

Wittlinger, Florian,Heppner, David E.,To, Ciric,Günther, Marcel,Shin, Bo Hee,Rana, Jaimin K.,Schmoker, Anna M.,Beyett, Tyler S.,Berger, Lena M.,Berger, Benedict-Tilman,Bauer, Nicolas,Vasta, James D.,Corona, Cesear R.,Robers, Matthew B.,Knapp, Stefan,J?nne, Pasi A.,Eck, Michael J.,Laufer, Stefan A.

, p. 1370 - 1383 (2021/11/13)

Inhibitors targeting the epidermal growth factor receptor (EGFR) are an effective therapy for patients with non-small cell lung cancer harboring drug-sensitive activating mutations in the EGFR kinase domain. Drug resistance due to treatment-acquired mutations has motivated the development of successive generations of inhibitors that bind in the ATP site. The third-generation agent osimertinib is now a first-line treatment for this disease. Recently, allosteric inhibitors have been developed to overcome drug-resistant mutations that confer a resistance to osimertinib. Here, we present the structure-guided design and synthesis of a mutant-selective lead compound, which consists of a pyridinyl imidazole-fused benzylisoindolinedione scaffold that simultaneously occupies the orthosteric and allosteric sites. The compound potently inhibits enzymatic activity in L858R/T790M/C797S mutant EGFR (4.9 nM), with a significantly lower activity for wild-type EGFR (47 nM). Additionally, this compound achieves modest cetuximab-independent and mutant-selective cellular efficacies on the L858R (1.2 μM) and L858R/T790M (4.4 μM) variants.

Design, synthesis and biological evaluation of 2-substituted-6-[(4-substituted-1-piperidyl)methyl]-1H-benzimidazoles as inhibitors of ebola virus infection

Bessières, Maxime,Plebanek, El?bieta,Chatterjee, Payel,Shrivastava-Ranjan, Punya,Flint, Mike,Spiropoulou, Christina F.,Warszycki, Dawid,Bojarski, Andrzej J.,Roy, Vincent,Agrofoglio, Luigi A.

, (2021/02/06)

Novel 2-substituted-6-[(4-substituted-1-piperidyl)methyl]-1H-benzimidazoles were designed and synthesized as Ebola virus inhibitors. The proposed structures of the new prepared benzimidazole-piperidine hybrids were confirmed based on their spectral data and CHN analyses. The target compounds were screened in vitro for their anti-Ebola activity. Among tested molecules, compounds 26a (EC50=0.93 μM, SI = 10) and 25a (EC50=0.64 μM, SI = 20) were as potent as and more selective than Toremifene reference drug (EC50 = 0.38 μM, SI = 7) against cell line. Data suggests that the mechanism by which 25a and 26a block EBOV infection is through the inhibition of viral entry at the level of NPC1. Furthermore, a docking study revealed that several of the NPC1 amino acids that participate in binding to GP are involved in the binding of the most active compounds 25a and 26a. Finally, in silico ADME prediction indicates that 26a is an idealy drug-like candidate. Our results could enable the development of small molecule drug capable of inhibiting Ebola virus, especially at the viral entry step.

Thienopyrimidine derivatives and preparation method thereof

-

Paragraph 0128-0129; 0146-0147, (2021/09/08)

Disclosed are a thienopyrimidine derivative and a preparation method therefor. Provided is a method for preparing a compound as shown in formula B, which method is characterized by comprising the following steps: subjecting a compound as shown in formula

8-substituted styryl xanthine derivative and application thereof

-

Paragraph 0268; 0270-0274, (2021/02/10)

The invention discloses an 8-substituted styryl xanthine derivative and application thereof, and particularly relates to a novel 8-substituted styryl xanthine derivative and a pharmaceutical composition containing the compound which can be used as a selective adenosine A2A receptor antagonist. The invention also relates to a method for preparing the compound and the pharmaceutical composition, andapplication of the compound and the pharmaceutical composition in preparation of drugs for treating adenosine A2A receptor related diseases, especially Parkinson's disease.

1-[2-(1-Cyclobutylpiperidin-4-yloxy)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]propan-1-one: a Histamine H3 Receptor Inverse Agonist with Efficacy in Animal Models of Cognition

Achanta, Pramod Kumar,Badange, Rajesh Kumar,Benade, Vijay,Bojja, Kumar,Choudary Palacharla, Raghava,Jayarajan, Pradeep,Kagita, Narendra,Lingavarapu, Bujji Babu,Manchineella, Sravanthi,Mohammed, Abdul Rasheed,Nirogi, Ramakrishna,Rao Doguparthi, Mallikarjuna,Rao Muddana, Nageswara,Reballi, Veena,Shinde, Anil Karbhari,Subramanian, Ramkumar,Thentu, Jagadeesh Babu,Yarra, Sivasekhar

, (2021/11/23)

A series of chemical optimizations, which was guided by in vitro affinity at histamine H3 receptor (H3R), modulation of lipophilicity, ADME properties and preclinical efficacy resulted in the identification of 1-[2-(1-cyclobutylpiperidin-4-yloxy)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]propan-1-one (45 e) as a potent and selective (Ki=4.0 nM) H3R inverse agonist. Dipsogenia induced by (R)-α-methylhistamine was dose dependently antagonized by 45 e, confirming its functional antagonism at H3R. It is devoid of hERG and phospholipidosis issues. Compound 45 e has adequate oral exposures and favorable half-life in both rats and dogs. It has demonstrated high receptor occupancy (ED80=0.22 mg/kg) and robust efficacy in object recognition task and, dose dependently increased acetylcholine levels in brain. The sub-therapeutic doses of 45 e in combination with donepezil significantly increased acetylcholine levels. The potent affinity, selectivity, in vivo efficacy and drug like properties together with safety, warrant for further development of this molecule for potential treatment of cognitive disorders associated with Alzheimer's disease.

SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS

-

Page/Page column 365, (2021/05/07)

Disclosed are compounds of Formula (I) N-oxides, or salts thereof, wherein G, A, R1, and R5 are defined herein. Also disclosed are methods of using such compounds as inhibitors of signaling through Toll-like receptor 7, or 8, or 9, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating inflammatory and autoimmune diseases.

Copper-Catalyzed Cross-Coupling between Alkyl (Pseudo)halides and Bicyclopentyl Grignard Reagents

Andersen, Claire,Bernardelli, Patrick,Cossy, Janine,Daumas, Marc,Ferey, Vincent,Guérinot, Amandine

, (2020/08/05)

The development of a copper-catalyzed cross-coupling between primary and secondary (pseudo)halides and bicyclopentyl Grignard reagents is reported. Highly strained bicyclopentanes can be cross-coupled with a large panel of primary alkyl mesylates and secondary alkyl iodides. The catalytic system is simple and cheap, and the reaction is general and chemoselective.

Discovery of Bispecific Antagonists of Retinol Binding Protein 4 That Stabilize Transthyretin Tetramers: Scaffolding Hopping, Optimization, and Preclinical Pharmacological Evaluation as a Potential Therapy for Two Common Age-Related Comorbidities

Cioffi, Christopher L.,Muthuraman, Parthasarathy,Raja, Arun,Varadi, Andras,Racz, Boglarka,Petrukhin, Konstantin

, p. 11054 - 11084 (2020/11/09)

Accumulation of cytotoxic lipofuscin bisretinoids may contribute to atrophic age-related macular degeneration (AMD) pathogenesis. Retinal bisretinoid synthesis depends on the influx of serum all-trans-retinol (1) delivered via a tertiary retinol binding protein 4 (RBP4)-transthyretin (TTR)-retinol complex. We previously identified selective RBP4 antagonists that dissociate circulating RBP4-TTR-retinol complexes, reduce serum RBP4 levels, and inhibit bisretinoid synthesis in models of enhanced retinal lipofuscinogenesis. However, the release of TTR by selective RBP4 antagonists may be associated with TTR tetramer destabilization and, potentially, TTR amyloid formation. We describe herein the identification of bispecific RBP4 antagonist-TTR tetramer kinetic stabilizers. Standout analogue (±)-44 possesses suitable potency for both targets, significantly lowers mouse plasma RBP4 levels, and prevents TTR aggregation in a gel-based assay. This new class of bispecific compounds may be especially important as a therapy for dry AMD patients who have another common age-related comorbidity, senile systemic amyloidosis, a nongenetic disease associated with wild-type TTR misfolding.

HETEROCYCLIC INHIBITORS OF TYROSINE KINASE

-

Paragraph 0508, (2020/11/03)

The present disclosure relates to heterocyclic compounds and methods which may be useful as inhibitors of HER2 or EGFR for the treatment or prevention of disease, including cancer.

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