127168-76-7

Basic information

• Product Name: 5-CHLOROISOINDOLINE HYDROCHLORIDE
• Synonyms: 5-CHLOROISOINDOLINE HYDROCHLORIDE;5-Chloroisoindoline;C90100;5-Chloro-2,3-dihydro-1H-isoindole
• CAS NO: 127168-76-7
• Molecular Formula: C₈H₈ClN
• Molecular Weight: 153.61
• Mol File: 127168-76-7.mol

Chemical Properties

• Boiling Point: 237℃
• Flash Point: 97℃
• Appearance: /
• Density: 1.214
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 8.60±0.20(Predicted)
• CAS DataBase Reference: 5-CHLOROISOINDOLINE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLOROISOINDOLINE HYDROCHLORIDE(127168-76-7)
• EPA Substance Registry System: 5-CHLOROISOINDOLINE HYDROCHLORIDE(127168-76-7)

Safety Data

• Hazardous Substances Data: 127168-76-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-Chloroisoindoline hydrochloride is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of compounds with significant biological and pharmacological activities. Its role in creating new drugs is crucial, as it can be incorporated into various molecular structures to enhance their therapeutic effects.
Used in Agrochemical Industry:
In the agrochemical sector, 5-Chloroisoindoline hydrochloride is utilized as a precursor in the production of agrochemicals. Its chemical properties make it suitable for the synthesis of compounds that can be used in pest control, crop protection, and other agricultural applications, thereby contributing to increased crop yields and protection against various pests.
Used in Organic Synthesis:
5-Chloroisoindoline hydrochloride is used as a versatile intermediate in organic synthesis for its capacity to be incorporated into a wide range of chemical compounds. This flexibility allows chemists to design and create novel molecules with potential applications in various fields, including but not limited to medicine, materials science, and environmental chemistry.

InChI:InChI=1/C8H8ClN.ClH/c9-8-2-1-6-4-10-5-7(6)3-8;/h1-3,10H,4-5H2;1H

Upstream product

• 127168-77-8 5-chloro-2-p-tosylisoindoline 
• 31684-14-7 1,2-bis(bromomethyl)-4-chlorobenzene 
• 615-60-1 4-chloro-1,2-dimethylbenzene 
• 118-45-6 4-chlorophthalic anhydride 

Downstream Products

• 912999-79-2 5-chloro-2,3-dihydro-1H-isoindole hydrochloride 
• 913000-14-3 (2,4-bis-benzyloxy-5-isopropyl-phenyl)-(5-chloro-1,3-dihydro-isoindol-2-yl)-methanone 
• 1221962-74-8 ethyl 4-(5-chloro-2-isoindolinyl)-3-(4-chlorophenyl)-4-oxobutanoate 
• 1258507-84-4 C₁₉H₁₇ClF₃NO₄S 

Relevant articles and documents

Substituted pyrrolidine-2,4-dicarboxylic acid amides as potent dipeptidyl peptidase IV inhibitors

A series of substituted pyrrolidine-2,4-dicarboxylic acid amides were synthesized as potential antidiabetic agents, and many of them showed good in vitro DPP-IV inhibition (IC50 = 2-250 nM) with selectivity over DPP-II, DPP8, and FAP enzymes. Selected compounds 8c and 11a showed in vivo plasma DPP-IV inhibition after oral administration in Wistar rats.

FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF

The present invention relates to a fluoroallylamine derivative and use thereof. In particular, the present invention relates to a compound as shown in Formula I, a prodrug, an isomer, an isotope-labeled compound, a solvate or a pharmaceutically acceptable salt thereof, which has VAP-1/SSAO inhibitory activity, and can be used for treating a disease associated with VAP-1/SSAO overactivity.

ALLOSTERIC PROTEIN KINASE MODULATORS

The invention provides specific small molecule compounds that allosterically regulate the activity or modulate protein-protein interactions of AGC protein kinases and the Aurora family of protein kinases, methods for their production, pharmaceutical compositions comprising same, and their use for preparing medicaments for the treatment and prevention of diseases related to abnormal activities of AGC protein kinases or of protein kinases of the Aurora family.

ALLOSTERIC PROTEIN KINASE MODULATORS

The invention provides specific small molecule compounds that allosterically regulate the activity or modulate protein-protein interactions of AGC protein kinases and the Aurora family of protein kinases, methods for their production, pharmaceutical compositions comprising same, and their use for preparing medicaments for the treatment and prevention of diseases related to abnormal activities of AGC protein kinases or of protein kinases of the Aurora family.

PHARMACEUTICAL COMBINATIONS

The invention provides combinations comprising (or consisting essentially of) one or more ancillary compound(s) and a compound of the formula (I): or salts, tautomers, solvates and N-oxides thereof; wherein R1 is hydroxy or hydrogen; R2 is hydroxy; methoxy or hydrogen; provided that at least one of R1 and R2 is hydroxy; R3 is selected from hydrogen; halogen; cyano; optionally substituted C1-5 hydrocarbyl and optionally substituted C1- 5 hydrocarbyloxy; R4 is selected from hydrogen; a group -(O)n-R7 where n is 0 or 1 and R7 is an optionally substituted acyclic C1-5 hydrocarbyl group or a monocyclic carbocyclic or heterocyclic group having 3 to 7 ring members; halogen; cyano; hydroxy; amino; and optionally substituted mono- or di-C1-5 hydrocarbyl-amino; or R3 and R4 together form a monocyclic carbocyclic or heterocyclic ring of 5 to 7 ring members; and NR5R6 forms an optionally substituted bicyclic heterocyclic group having 8 to 12 ring members of which up to 5 ring members are heteroatoms selected from oxygen, nitrogen and sulphur. The combinations have activity as Hsp90 inhibitors.

PHARMACEUTICAL COMPOUNDS

The invention provides the use of a compound for the manufacture of a medicament for the treatment of pain, wherein the compound is a compound of the formula (Vl): or a salt, solvate, tautomer or N-oxide thereof; wherein the bicydic group: is selected from the structures C1, C5 and C6: wherein n, R1, R2a, R3, R4a, R8 and R10 are as defined in the claims. The invention also provides the use of a compound of the formula (Vl) for the manufacture of a medicament for the prophylaxis or treatment of a fungal, protozoal, viral or parasitic disease state or condition (other than a disease state or condition due to Plasmodium falciparum) or for use in the prophylaxis or treatment of Ewing's sarcoma, atherosclerosis or lupus erythematosus

COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV

The invention aims to provide a dipeptidyl peptidase IV inhibitor which is satisfactory in respect of activity, stability and safety and has an excellent action as a pharmaceutical agent. The invention is directed to a compound represented by the following general formula or a pharmaceutically acceptable salt thereof: wherein R1 and R2 each represents hydrogen, an optionally substituted C1-6 alkyl group, or -COOR5 whereupon R5 represents hydrogen or an optionally substituted C1-6 alkyl group, or R1 and R2, together with a carbon atom to which they are bound, represent a 3- to 6-membered cycloalkyl group, R3 represents hydrogen or an optionally substituted C6-10 aryl group, R4 represents a hydrogen or a cyano group, D represents -CONR6-, -CO- or -NR6CO-, R6 represents hydrogen or an optionally substituted C1-6 alkyl group, E represents -(CH2)m- whereupon m is an integer of 1 to 3, -CH2OCH2-, or -SCH2-, n is an integer of 0 to 3, and A represents an optionally substituted bicyclic heterocyclic group or bicyclic hydrocarbon group.

Isoindoline derivative

Isoindoline derivatives represented by the formula (I) and their salts are disclosed. STR1 There are many varieties for the compound depending on the types of residues R1 -R9 and X. The compounds can be prepared from quinoline derivatives of the formula (II) and an isoindoline derivatives of the formula (III). The compounds of formula (I) and their salts have excellent antibacterial activities against both gram positive and gram negative microorganisms. They can be used as a medicine, an agrichemical, and a food preservative.