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3-Benzyl-3,9-diaza-spiro[5.5]undecane is a unique spirocyclic chemical compound characterized by a central 10-membered ring and a spirocyclic 6-membered ring. It belongs to the class of organic compounds known as spiro compounds, which are defined by having two or more rings sharing a single atom. 3-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE is particularly notable for its potential in medicinal chemistry and drug discovery, serving as a versatile scaffold for the development of pharmaceutical agents. The presence of a benzyl group on the central ring offers a point for chemical modification, facilitating the creation of a range of derivatives with diverse biological activities. Its structural features and pharmacological potential make 3-benzyl-3,9-diaza-spiro[5.5]undecane a subject of interest for researchers in both the pharmaceutical industry and academia.

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  • 189333-49-1 Structure
  • Basic information

    1. Product Name: 3-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE
    2. Synonyms: 3-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE;3,9-Diazaspiro[5.5]undecane, 3-(phenylmethyl)-;3-Benzyl-3,9-diazasprio[5,5undecane dihydrochloride;3,9-Diazaspiro[5.5]undecane,3-(phenylMethyl)- hydrochloride;3-benzyl-3,9-diazaspiro[5.5]undecane dihydrochloride
    3. CAS NO:189333-49-1
    4. Molecular Formula: C16H24N2
    5. Molecular Weight: 244.38
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 189333-49-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 357.738 °C at 760 mmHg
    3. Flash Point: 135.985 °C
    4. Appearance: /
    5. Density: 1.057 g/cm3
    6. Vapor Pressure: 2.67E-05mmHg at 25°C
    7. Refractive Index: 1.576
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
    9. Solubility: N/A
    10. PKA: 11.02±0.20(Predicted)
    11. CAS DataBase Reference: 3-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE(189333-49-1)
    13. EPA Substance Registry System: 3-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE(189333-49-1)
  • 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: 189333-49-1(Hazardous Substances Data)

189333-49-1 Usage

Uses

Used in Pharmaceutical Industry:
3-Benzyl-3,9-diaza-spiro[5.5]undecane is used as a chemical scaffold for the development of potential pharmaceutical agents due to its unique spirocyclic structure and the ability to modify the benzyl group for various biological activities.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-benzyl-3,9-diaza-spiro[5.5]undecane is utilized as a starting point for the synthesis of diverse drug candidates, leveraging its structural attributes to explore new therapeutic opportunities.
Used in Drug Discovery:
3-Benzyl-3,9-diaza-spiro[5.5]undecane is employed in drug discovery processes to create novel compounds with potential therapeutic effects, capitalizing on its capacity for chemical modification to enhance pharmacological properties.

Check Digit Verification of cas no

The CAS Registry Mumber 189333-49-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,9,3,3 and 3 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 189333-49:
(8*1)+(7*8)+(6*9)+(5*3)+(4*3)+(3*3)+(2*4)+(1*9)=171
171 % 10 = 1
So 189333-49-1 is a valid CAS Registry Number.
InChI:InChI=1/C16H24N2/c1-2-4-15(5-3-1)14-18-12-8-16(9-13-18)6-10-17-11-7-16/h1-5,17H,6-14H2

189333-49-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Benzyl-3,9-diazaspiro[5.5]undecane

1.2 Other means of identification

Product number -
Other names RW3853

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:189333-49-1 SDS

189333-49-1Relevant articles and documents

Identification of Better Pharmacokinetic Benzothiazinone Derivatives as New Antitubercular Agents

Lv, Kai,You, Xuefu,Wang, Bin,Wei, Zengquan,Chai, Yun,Wang, Bo,Wang, Apeng,Huang, Guocheng,Liu, Mingliang,Lu, Yu

, p. 636 - 641 (2017)

A series of new 8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one(BTZ) derivatives containing a C-2 nitrogen spiro-heterocycle moiety based on the structures of BTZ candidates BTZ043 and PBTZ169 were designed and synthesized as new antitubercular agents. Many of them were found to have excellent in vitro activity (MIC 0.15 μM) against the drug susceptive Mycobacterium tuberculosis H37Rv strain and two clinically isolated multidrug-resistant strains. Compounds 11l and 11m display acceptable safety, greater aqueous solubility, and better pharmacokinetic profiles than PBTZ169, suggesting their promising potential to be lead compounds for future antitubercular drug discovery.

3,9- DIAZASPIRO[5,5] UNDECANE COMPOUND AS FLT3 AND AXL INHIBITORS

-

, (2021/08/05)

Disclosed in the present invention is a novel compound as FLT3 and AXL inhibitors. Sepcifically, disclosed are a compound represented by fomula (I) and a pharmacologically acceptable salt thereof.

Preparation method of 3-alkyl-3, 9-diazaspiro [5, 5] undecane

-

, (2020/08/29)

The invention relates to a preparation method of 3-alkyl-3, 9-diazaspiro [5, 5] undecane. The preparation method comprises the following steps: a. reacting a compound I with cyanoacetate under the action of ammonia water and a catalyst to obtain a compoun

Polymorphism of novel spiroarylphosphine oxide

-

, (2019/11/20)

The invention relates to a polymorphic substance of a compound (2-((5-chloro-2-((2-methoxyl-4-(9-methyl-3,9-diaza-sprio[5.5]hendecane-3-yl)phenyl)amino)pyrimidine-4-yl)amino)phenyl)dimethyl phosphineoxide (compound I). The invention further relates to a m

Preparation method, intermediate and crystal form of spironolamine arylphosphine oxide

-

, (2017/08/30)

The invention discloses a preparation method and a crystal form of high-purity spironolamine arylphosphine oxide. The invention further discloses a method for preparing a compound shown as a formula (I) and an intermediate compound.

Spiro aryl phosphorus oxide or sulfide

-

, (2016/10/08)

The invention discloses a spiro aryl phosphorus oxide or sulfide as ALK inhibitor, and in particular discloses a compound shown in a formula (I) as an ALK inhibitor or a pharmaceutically acceptable salt thereof.

CEPHEM COMPOUND HAVING CATECHOL GROUP

-

, (2013/03/26)

A compound of the formula: wherein X is -N=, -CH=, or the like; W is -CH2- or the like; U is -S- or the like; R1 and R2 are each independently hydrogen, halogen, optionally substituted lower alkyl, or the like; R3/su

COMPOUNDS AND METHODS FOR PREPARING DIAZASPIRO DERIVATIVES

-

Page/Page column 16, (2009/09/05)

Compounds and methods are provided for the synthesis of diazaspiro derivatives of the Formula: wherein R is as described herein. Such compounds are useful, for example, as intermediates in the synthesis of biologically active compounds.

SUBSTITUTED AZASPIRO DERIVATIVES

-

Page/Page column 28, (2008/12/08)

Substituted azaspiro derivatives of the Formula:are provided, in which variables are as described herein. Such compounds may be used to modulate ligand binding to histamine H3 receptors in vivo or in vitro, and are particularly useful in the treatment of a variety of central nervous system (CNS) and other disorders in humans, domesticated companion animals and livestock animals. Compounds provided herein may be administered alone or in combination with one or more other CNS agents to potentiate the effects of the other CNS agent(s). Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for detecting histamine H3 receptors (e.g., receptor localization studies).

SPIROCYCLIC SULFONAMIDES AND RELATED COMPOUNDS

-

, (2010/11/29)

Spirocyclic sulfonamides and related compounds of Formula 1 are provided : (Formula (I)): in which the variables are as described herein. Such compounds may be used to modulate bradykinin receptor activity in vivo or in vitro, and are particularly useful

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