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(S)-3-(1-aminoethyl)benzoic acid hydrochloride, with the molecular formula C9H12ClNO2, is a chemical compound that serves as an intermediate in the synthesis of pharmaceutical products. It is a white crystalline powder formed from the reaction of (S)-3-(1-aminoethyl)benzoic acid with hydrochloric acid. (S)-3-(1-aminoethyl)benzoic acid hydrochloride is recognized for its role as a neurotransmitter and is utilized in research related to neurotransmission and the central nervous system. Furthermore, it is employed as a chiral building block in the synthesis of complex organic molecules, showcasing its versatility in both medicinal and research applications.

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  • 1391437-37-8 Structure
  • Basic information

    1. Product Name: (S)-3-(1-aminoethyl)benzoic acid hydrochloride
    2. Synonyms:
    3. CAS NO:1391437-37-8
    4. Molecular Formula:
    5. Molecular Weight: 201.653
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1391437-37-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (S)-3-(1-aminoethyl)benzoic acid hydrochloride(CAS DataBase Reference)
    10. NIST Chemistry Reference: (S)-3-(1-aminoethyl)benzoic acid hydrochloride(1391437-37-8)
    11. EPA Substance Registry System: (S)-3-(1-aminoethyl)benzoic acid hydrochloride(1391437-37-8)
  • 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: 1391437-37-8(Hazardous Substances Data)

1391437-37-8 Usage

Uses

Used in Pharmaceutical Synthesis:
(S)-3-(1-aminoethyl)benzoic acid hydrochloride is used as an intermediate in the pharmaceutical industry for the synthesis of various pharmaceutical products. Its role as a building block allows for the creation of a wide range of medications, contributing to the development of new treatments for different medical conditions.
Used in Neurotransmission Research:
In the field of neuroscience, (S)-3-(1-aminoethyl)benzoic acid hydrochloride is utilized as a neurotransmitter, playing a crucial role in the study of neurotransmission and the central nervous system. Its application in research helps to advance our understanding of how nerve cells communicate and the underlying mechanisms involved in various neurological disorders.
Used as a Chiral Building Block:
(S)-3-(1-aminoethyl)benzoic acid hydrochloride is also used as a chiral building block in the synthesis of complex organic molecules. Its unique structure and properties make it a valuable component in the development of new compounds with potential applications in various industries, including pharmaceuticals, agrochemicals, and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 1391437-37-8 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,9,1,4,3 and 7 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1391437-37:
(9*1)+(8*3)+(7*9)+(6*1)+(5*4)+(4*3)+(3*7)+(2*3)+(1*7)=168
168 % 10 = 8
So 1391437-37-8 is a valid CAS Registry Number.

1391437-37-8Upstream product

1391437-37-8Relevant articles and documents

COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE

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Page/Page column 73-74, (2011/12/02)

The present invention relates to pyrazine and pyridine compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention have formula I wherein the variables are as defined herein.

PYRROLO- PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE

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Page/Page column 66, (2012/01/14)

The present invention relates to pyrrolopyrazines compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various disea

Template-constrained cyclic peptides: Design of high-affinity ligands for GPIIb/IIIa

Jackson, Sharon,DeGrado, William,Dwivedi, Anil,Parthasarathy, Anju,Higley, Anne,Krywko, James,Rockwell, Arlene,Markwalder, Jay,Wells, Greg,Wexler, Ruth,Mousa, Shaker,Harlow, Richard

, p. 3220 - 3230 (2007/10/02)

Although peptides adopt a large ensemble of conformations in aqueous solution, they are generally believed to bind to a receptor in a unique conformation. Thus, there is considerable interest in devising methods to restrict the conformational freedom of peptides. One such approach involves tying the amino and carboxy terminal ends of the peptide onto a semirigid template that will lock the intervening peptide backbone into a single conformer or a family of related conformers. This general strategy has been tested using the tripeptide sequence Arg-Gly-Asp (RGD), which binds with low affinity to the platelet glycoprotein IIb/IIIa (GPIIb/IIIa or α(IIb)β3). Mimics of RGD are of interest as antithrombotics because of their ability to inhibit the aggregation of platelets. Prior to this study, other workers (Samanen et al. J. Med. Chem. 1991, 34, 3114-3125) prepared a disulfide- containing cyclic pentapeptide that bound to GPIIb/IIIa with an affinity of approximately 0.1 μM. NMR analysis of the solution conformation of this peptide suggested that replacing the disulfide-containing portion of the cycle with the amino acid m-(aminomethyl)benzoic acid would lead to a more rigid structure. Indeed, introduction of this template into a cyclic RGD- containing peptide resulted in compounds with high affinity for the receptor. Further, systematic inclusion of additional conformational constraints in the form of N(α)- and C(α)-alkyl groups led to a peptide with an affinity of approximately 100 pM for binding to the receptor. This peptide also showed good activity in the platelet aggregation assay at oral doses as low as 0.1 mg/kg.

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