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3-Methylisoquinolin-5-amine, with the molecular formula C10H10N2, is a chemical compound derived from the isoquinoline class and is an aromatic amine. It is recognized for its significance in the synthesis of pharmaceuticals and organic compounds, particularly in the creation of heterocyclic compounds that are extensively utilized in medicinal chemistry. 3-METHYLISOQUINOLIN-5-AMINE's structure and properties render it a valuable building block for the development of new drugs and biologically active molecules, as well as for potential applications in material development and as a reagent in organic chemical reactions.

54410-17-2

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54410-17-2 Usage

Uses

Used in Pharmaceutical Synthesis:
3-Methylisoquinolin-5-amine is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of heterocyclic compounds, which are integral in medicinal chemistry.
Used in Organic Compounds Production:
In the field of organic chemistry, 3-Methylisoquinolin-5-amine is utilized as a building block for the creation of new organic compounds, leveraging its unique structure and properties to enhance the synthesis process.
Used in Medicinal Chemistry:
3-Methylisoquinolin-5-amine is employed as a precursor in medicinal chemistry for the production of biologically active molecules, which can be further developed into potential therapeutic agents.
Used in Material Development:
3-METHYLISOQUINOLIN-5-AMINE has potential applications in the development of new materials, where its chemical properties can be harnessed to create innovative substances with unique characteristics.
Used as a Reagent in Organic Chemical Reactions:
3-Methylisoquinolin-5-amine serves as a reagent in various organic chemical reactions, facilitating specific transformations and syntheses that are crucial in the advancement of organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 54410-17-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,4,4,1 and 0 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 54410-17:
(7*5)+(6*4)+(5*4)+(4*1)+(3*0)+(2*1)+(1*7)=92
92 % 10 = 2
So 54410-17-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H10N2/c1-7-5-9-8(6-12-7)3-2-4-10(9)11/h2-6H,11H2,1H3

54410-17-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-METHYLISOQUINOLIN-5-AMINE

1.2 Other means of identification

Product number -
Other names 3-methyl-[5]isoquinolylamine

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:54410-17-2 SDS

54410-17-2Relevant academic research and scientific papers

Asymmetric synthesis of a TRPV1 antagonist via tert -butanesulfinamide- directed reductive amination with a chromanone

Bellizzi, Mary E.,Bhatia, Ashok V.,Cullen, Steven C.,Gandarilla, Jorge,Kruger, Albert W.,Welch, Dennie S.

, p. 303 - 309 (2014/03/21)

An expedient asymmetric synthesis of TRPV1 antagonist 1 has been developed and demonstrated on multikilogram scale. The enabling route to 1 is detailed herein and characterized by the following key transformations: an aldol-cyclodehydration sequence to install the chromanone, and an auxiliary-mediated diastereoselective reductive amination.

TRPV1 ANTAGONISTS

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Page/Page column 59, (2010/04/30)

Disclosed herein are compounds of Formula (I), or pharmaceutically acceptable salts, solvates, prodrugs, salts of prodrugs, or combinations thereof, wherein R1, R2, R3, R4, and m are defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also disclosed.

TRPV1 ANTAGONISTS

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Page/Page column 57-58, (2010/04/30)

Disclosed herein are compounds of formula (I), or pharmaceutically acceptable salts, solvates, prodrugs, salts of prodrugs, or combinations thereof, wherein R1, R2, R3, R4, and m are defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also disclosed.

SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS

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Page/Page column 139, (2010/11/18)

The invention relates to substituted aromatic carboxamide and urea derivatives, to processes for the preparation thereof, to pharmaceutical compositions containing these compounds and also to the use of these compounds for preparing pharmaceutical compositions (formula (I)).

In vitro structure-activity relationship and in vivo characterization of 1-(aryl)-3-(4-(amino)benzyl)urea transient receptor potential vanilloid 1 antagonists

Perner, Richard J.,DiDomenico, Stanley,Koenig, John R.,Gomtsyan, Arthur,Bayburt, Erol K.,Schmidt, Robert G.,Drizin, Irene,Guo, Zhu Zheng,Turner, Sean C.,Jinkerson, Tammie,Brown, Brian S.,Keddy, Ryan G.,Lukin, Kurill,McDonald, Heath A.,Honore, Prisca,Mikusa, Joe,Marsh, Kennan C.,Wetter, Jill M.,St. George, Karen,Jarvis, Michael F.,Faltynek, Connie R.,Lee, Chih-Hung

, p. 3651 - 3660 (2008/02/12)

The synthesis and structure-activity relationship of 1-(aryl)-3-(4-(amino) benzyl)urea transient receptor potential vanilloid 1 (TRPV1) antagonists are described. A variety of cyclic amine substituents are well tolerated at the 4-position of the benzyl group on compounds containing either an isoquinoline or indazole heterocyclic core. These compounds are potent antagonists of capsaicin activation of the TRPV1 receptor in vitro. Analogues, such as compound 45, have been identified that have good in vivo activity in animal models of pain. Further optimization of 45 resulted in compound 58 with substantially improved microsome stability and oral bioavailability, as well as in vivo activity.

Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same

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Page/Page column 53, (2008/06/13)

Compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same

-

Page/Page column 29, (2010/11/23)

Compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor

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Page/Page column 31, (2010/02/11)

Compounds of formula (I) are novel VR1 antagonists that are useful in treating pain, inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity.

AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN

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Page 23-24, (2010/02/07)

the present invention provides a compound of formula (I): wherein V represents NR5, O, S, SO or S(O)2; W and X each independently represent CH or N; Y represents N, CH or C-Ar2, with the proviso that at least one, but no more than two, of W, X and Y are N; Z represents CH or C-Ar2, with the proviso that when Y is N or CH then Z is C-Ar2, and with the further proviso that when Y is C-Ar2 then Z is CH; Ar1 represents a fused 9 or 10 membered heterobicyclic ring system containing one, two, three or four heteroatoms selected from nitrogen, oxygen and sulfur, wherein at least one of the rings in said ring system is aromatic; Ar2 represents an aromatic ring selected from phenyl, pyridyl, pyrimidinyl and pyridazinyl which is optionally fused and substituted; R1 represents halogen, hydroxy, oxo, C1-6alkyl, C2-6alkenyl, C2-6alkynyl, haloC1-6alkyl, hydroxyC1-6alkyl, C1-6alkoxy, haloC1-6alkoxy, hydroxyC1-6alkoxy, C3-7cycloalkyl, C3-7cycloalkoxy, C3-5cycloalkylC1-4alkyl, cyano, nitro, SR6, SOR6, SO2R6, COR6, NR3COR6, CONR3R4, NR3SO2R6, SO2NR3R4, -(CH2)mcarboxy, esterified -(CH2)mcarboxy or -(CH2)mNR3R4; R2 represents hydrogen, halogen, hydroxy, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy, haloC1-6alkoxy, unsubstituted phenyl or phenyl substituted with one or two groups selected from halogen, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy or haloC1-6alkoxy; R3 and R4 are each independently hydrogen, C1-6alkyl, C2-6alkenyl, C2-6alkynyl, C3-7cycloalkyl or fluoroC1-6alkyl; or R3 and R4 and the nitrogen atom to which they are attached together form a heteroaliphatic ring of 4 to 7 ring atoms, optionally substituted by one or two groups selected from hydroxy or C1-4alkoxy, which ring may optionally contain as one of the said ring atoms an oxygen or a sulfur atom, S(O), S(O)2, or NR5; R5 represents hydrogen, C1-4alkyl, hydroxyC1-4alkyl or C1-4alkoxyC1-4alkyl; R6 represents hydrogen, C1-6alkyl, fluoroC1-6alkyl, C3-7cycloalkyl, unsubstituted phenyl, or phenyl substituted with one or two groups selected from halogen, C1-6alkyl, haloC1-6alkyl, C3-7cycloalkyl, C1-6alkoxy or haloC1-6alkoxy; m is either zero or an integer from 1 to 4; n is either zero or an integer from 1 to 3; or a pharmaceutically acceptable salt, N-oxide or a prodrug thereof; a pharmaceutical composition comprising it; its use in methods of treatment; use of it for the manufacture of a medicament for treating VR-1 related conditions such as those in which pain and/or inflammation predominate; and methods of treatment using it.

UREA DERIVATIVES

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Page 15-16, (2008/06/13)

Compounds of formula (I), or a pharmaceutically acceptable salt or solvate thereof, wherein P, P', W, R1, R2, n, p, q, r, s and t are as defined in the specification, processes for preparing such compounds, pharmaceutical composition

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