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1,3-Benzenedicarboxylic acid, 5-[Methyl(Methylsulfonyl)aMino]-,MonoMethyl ester is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 695215-94-2 Structure
  • Basic information

    1. Product Name: 1,3-Benzenedicarboxylic acid, 5-[Methyl(Methylsulfonyl)aMino]-,MonoMethyl ester
    2. Synonyms: 1,3-Benzenedicarboxylic acid, 5-[Methyl(Methylsulfonyl)aMino]-,MonoMethyl ester;1-Methyl 5-[methyl(methylsulphonyl)amino]isophthalate, N-[3-Carboxy-5-(methoxycarbonyl)phenyl]-N-methylmethanesulphonamide;3-(methoxycarbonyl)-5-(N-methylmethylsulfonamido)benzoic acid
    3. CAS NO:695215-94-2
    4. Molecular Formula: C11H13NO6S
    5. Molecular Weight: 287.28902
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 695215-94-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1,3-Benzenedicarboxylic acid, 5-[Methyl(Methylsulfonyl)aMino]-,MonoMethyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1,3-Benzenedicarboxylic acid, 5-[Methyl(Methylsulfonyl)aMino]-,MonoMethyl ester(695215-94-2)
    11. EPA Substance Registry System: 1,3-Benzenedicarboxylic acid, 5-[Methyl(Methylsulfonyl)aMino]-,MonoMethyl ester(695215-94-2)
  • 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: 695215-94-2(Hazardous Substances Data)

695215-94-2 Usage

Chemical Structure

Contains a benzene ring with a methyl ester group and a methylsulfonyl amino group attached

Molecular Weight

263.26 g/mol

Functional Groups

Carboxylic acid, ester, amine, and sulfonyl groups

Appearance

Solid or crystalline form

Industrial Applications

a. Plasticizer in the production of polyvinyl chloride (PVC) and other polymers
b. Synthesis of pharmaceuticals and agrochemicals
c. Reactive diluent in epoxy resins
d. Component in adhesives and sealants

Solubility

Soluble in organic solvents like ethanol, methanol, and acetone

Stability

Stable under normal temperature and pressure conditions

Reactivity

Can undergo reactions such as esterification, amidation, and nucleophilic substitution

Hazards

May cause irritation to skin, eyes, and respiratory system

Storage

Store in a cool, dry, and well-ventilated area, away from heat and open flames

Regulatory Status

Subject to regulations and restrictions depending on the intended use and location

Environmental Impact

Potentially harmful to aquatic life and should be handled with care to minimize environmental exposure

Check Digit Verification of cas no

The CAS Registry Mumber 695215-94-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,9,5,2,1 and 5 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 695215-94:
(8*6)+(7*9)+(6*5)+(5*2)+(4*1)+(3*5)+(2*9)+(1*4)=192
192 % 10 = 2
So 695215-94-2 is a valid CAS Registry Number.

695215-94-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-methoxycarbonyl-5-[methyl(methylsulfonyl)amino]benzoic acid

1.2 Other means of identification

Product number -
Other names OR2286

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:695215-94-2 SDS

695215-94-2Relevant articles and documents

Cyanobacterial peptides as a prototype for the design of potent β-secretase inhibitors and the development of selective chemical probes for other aspartic proteases

Liu, Yanxia,Zhang, Wei,Li, Li,Salvador, Lilibeth A.,Chen, Tiantian,Chen, Wuyan,Felsenstein, Kevin M.,Ladd, Thomas B.,Price, Ashleigh R.,Golde, Todd E.,He, Jianhua,Xu, Yechun,Li, Yingxia,Luesch, Hendrik

supporting information, p. 10749 - 10765 (2013/02/23)

Inspired by marine cyanobacterial natural products, we synthesized modified peptides with a central statine-core unit, characteristic for aspartic protease inhibition. A series of tasiamide B analogues inhibited BACE1, a therapeutic target in Alzheimer's

Design and synthesis of potent macrocyclic renin inhibitors

Sund, Christian,Belda, Oscar,Wiktelius, Daniel,Sahlberg, Christer,Vrang, Lotta,Sedig, Susanne,Hamelink, Elizabeth,Henderson, Ian,Agback, Tatiana,Jansson, Katarina,Borkakoti, Neera,Derbyshire, Dean,Eneroth, Anders,Samuelsson, Bertil

scheme or table, p. 358 - 362 (2011/02/27)

Two types of P1-P3-linked macrocyclic renin inhibitors containing the hydroxyethylene isostere (HE) scaffold just outside the macrocyclic ring have been synthesized. An aromatic or aliphatic substituent (P3sp) was introduced in the macrocyclic ring aiming

COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE

-

Page/Page column 63, (2010/06/19)

The invention relates to substituted 1,2-ethylenediamines of general formula (I), wherein the radicals R1-R13, A, B, L and i are as defined in the description and the claims. The invention also relates to the use thereof for treating Alzheimer's disease (AD) and similar diseases.

COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE

-

Page/Page column 46, (2010/07/08)

The invention relates to substituted 1,2-ethylenediamines of general formula (I), wherein the radicals R1-R13, A, B, L and i are as defined in the description and in the claims. The invention also relates to the use thereof for treat

ASPARTYL PROTEASE INHIBITORS

-

Page/Page column 52, (2009/01/20)

The invention provides compounds of the formula (I) N-oxides, addition salts, quaternary amines, metal complexes, stereochemically isomeric forms and metabolites thereof, wherein G is-O-, -S(=O)r-, -CRdRd or -NRa-; W is H, C1-C6

β SECRETASE INHIBITOR

-

Page/Page column 32-33, (2008/06/13)

Disclosed is a compound represented by the formula (1) below which is useful as a drug for treating Alzheimer's disease, or a pharmaceutically acceptable salt thereof. (1) [In the formula, R1 represents a group represented by the following formula (2): (2) (wherein X represents a nitrogen atom or a group expressed as C(R5); Y represents a nitrogen atom or a group expressed as C(R6); and R5 and R6 independently represent a hydrogen atom or the like) or the like; m represents an integer of 1-6; L1 represents a single bond or the like; R2 represents a hydrogen atom, a substituted or unsubstituted alkyl group or the like; R3 represents a hydrogen atom or the like; L2 represents a single bond or the like; and R4 represents a hydrogen atom, a substituted or unsubstituted aryl group or the like.]

Design, synthesis, and X-ray structure of potent memapsin 2 (β-secretase) inhibitors with isophthalamide derivatives as the P 2 P3-ligands

Ghosh, Arun K.,Kumaragurubaran, Nagaswamy,Hong, Lin,Kulkarni, Sarang S.,Xu, Xiaoming,Chang, Wanpin,Weerasena, Vajira,Turner, Robert,Koelsch, Gerald,Bilcer, Geoffrey,Tang, Jordan

, p. 2399 - 2407 (2008/02/06)

Structure-based design and synthesis of a number of potent and selective memapsin 2 inhibitors are described. These inhibitors were designed based upon the X-ray structure of memapsin 2-bound inhibitor 3 that incorporates methylsulfonyl alanine as the Ps

Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors

Lindsley, Stacey R.,Moore, Keith P.,Rajapakse, Hemaka A.,Selnick, Harold G.,Young, Mary Beth,Zhu, Hong,Munshi, Sanjeev,Kuo, Lawrence,McGaughey, Georgia B.,Colussi, Dennis,Crouthamel, Ming-Chih,Lai, Ming-Tain,Pietrak, Beth,Price, Eric A.,Sankaranarayanan, Sethu,Simon, Adam J.,Seabrook, Guy R.,Hazuda, Daria J.,Pudvah, Nicole T.,Hochman, Jerome H.,Graham, Samuel L.,Vacca, Joseph P.,Nantermet, Philippe G.

, p. 4057 - 4061 (2008/02/10)

This Letter describes the design and synthesis of tertiary carbinamine macrocyclic inhibitors of the β-secretase (BACE-1) enzyme. These macrocyclic inhibitors, some of which incorporate novel P2 substituents, display a 2- to 100-fold increase in potency r

Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease

-

Page/Page column 27, (2008/06/13)

The present invention is directed to phenylamide and pyridylamide derivative compounds of which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF

-

Page/Page column 51-52, (2008/06/13)

The present invention provides novel beta-secretase inhibitors of the general formula (I), where the variables A1, A2, L1, L2, L3, R1, R2, R3, R4, R5, R6 and R7 are as defined in the claims, a method for their use in treating Alzheimer's disease, and methods for their use in reducing memapsin 2 catalytic activity.

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