acivicin structure, CAS 42228-92-2

acivicin

CAS Number42228-92-2

Synonyms(2S)-Amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid; Acivicine; ACIA; AT-125; (αS,5S)-α-Amino-3-chloro-2-isoxazoline-5-acetic acid; (S-(R*,R*))-4,5-Dihydro-a-amino-3-chloro-5-isoxazoleacetic Acid; (S-(R*,R*))-4,5-Dihydro-α-amino-3-chloro-5-isoxazoleacetic acid; Acivicinum; Antibiotic AT 125; (α-S,5S)-α-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid; Acivicino; (2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid; Acivicin; (2S)-amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid; (a-S,5S)-a-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic Acid

Molecular FormulaC5H7ClN2O3

Molecular Weight215.04

Purity

Density1.9±0.1 g/cm3

Boiling Point341.6±48.0 °C at 760 mmHg

Melting Point>200ºC (dec.)

Flash Point

Appearance

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9059618 Purity:
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Quality Control of [ 42228-92-2 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number42228-92-2
Catalog No.2A-9059618
Chinese Name阿西维辛
Synonyms(2S)-Amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid; Acivicine; ACIA; AT-125; (αS,5S)-α-Amino-3-chloro-2-isoxazoline-5-acetic acid; (S-(R*,R*))-4,5-Dihydro-a-amino-3-chloro-5-isoxazoleacetic Acid; (S-(R*,R*))-4,5-Dihydro-α-amino-3-chloro-5-isoxazoleacetic acid; Acivicinum; Antibiotic AT 125; (α-S,5S)-α-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid; Acivicino; (2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid; Acivicin; (2S)-amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid; (a-S,5S)-a-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic Acid
Molecular FormulaC5H7ClN2O3
Molecular Weight215.04
Density1.9±0.1 g/cm3
Boiling Point341.6±48.0 °C at 760 mmHg
Melting Point>200ºC (dec.)
Storage ConditionSealed, store at 2 ºC -8 ºC
PackagingIII
ApplicationAcivicin (AT-125) is a natural product produced by Streptomyces suis and is a gamma-glutamyl transpeptidase (GGT) inhibitor. Acivicin crosses the blood-brain barrier and has anti-cancer and anti-paras
MDL NumberC5H8Cl2N2O3
SMILESNC(C(=O)O)C1CC(Cl)=NO1
InChIInChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1
InChI KeyQAWIHIJWNYOLBE-OKKQSCSOSA-N
Hazard Symbols6.1(b)
MSDSmsds/59618_1_42228_92_2.pdf
BioactivityAcivicin (AT-125), a natural product produced by Streptomyces sviceus is a γ−glutamyl transpeptidase (GGT) inhibitor. Acivicin can across the blood-brain barrier and has anti-cancer, anti-parasitic properties[1][2]. Related Catalog Research Areas >> Cancer Research Areas >> Infection Target GGT[1] References [1]. Kreuzer J, et al. Target discovery of acivicin in cancer cells elucidates its mechanism of growth inhibition†Electronic supplementary information (ESI) available: Synthesis, cloning, protein expression, purification and biochemical assays. Chem Sci. 2014 Dec 1;6(1):237-245. Epub 2014 Sep 26. [2]. Chikhale EG, et al. Carrier-mediated transport of the antitumor agent acivicin across the blood-brain barrier. Biochem Pharmacol. 1995 Mar 30;49(7):941-5. Chemical & Physical Properties Density 1.9±0.1 g/cm3 Boiling Point 341.6±48.0 °C at 760 mmHg Melting Point >200ºC (dec.) Molecular Formula C5H7ClN2O3 Molecular Weight 178.574 Flash Point 160.4±29.6 °C Exact Mass 178.014526 PSA 84.91000 LogP -0.31 Vapour Pressure 0.0±1.6 mmHg at 25°C Index of Refraction 1.664 InChIKey QAWIHIJWNYOLBE-OKKQSCSOSA-N SMILES NC(C(=O)O)C1CC(Cl)=NO1
Use ofAcivicin (AT-125), a natural product produced by Streptomyces sviceus is a γ−glutamyl transpeptidase (GGT) inhibitor. Acivicin can across the blood-brain barrier and has anti-cancer, anti-parasitic properties[1][2]. Properties Name Acivicin Synonym More Synonyms Acivicin Biological Activity Description Acivicin (AT-125), a natural product produced by Streptomyces sviceus is a γ−glutamyl transpeptidase (GGT) inhibitor. Acivicin can across the blood-brain barrier and has anti-cancer, anti-parasitic properties[1][2]. Related Catalog Research Areas >> Cancer Research Areas >> Infection References [1]. Kreuzer J, et al. Target discovery of acivicin in cancer cells elucidates its mechanism of growth inhibition†Electronic supplementary information (ESI) available: Synthesis, cloning, protein expression, purification and biochemical assays. Chem Sci. 2014 Dec 1;6(1):237-245. Epub 2014 Sep 26. [2]. Chikhale EG, et al. Carrier-mediated transport of the antitumor agent acivicin across the blood-brain barrier. Biochem Pharmacol. 1995 Mar 30;49(7):941-5. Chemical & Physical Properties Exact Mass 178.014526 PSA 84.91000 LogP -0.31 Index of Refraction 1.664 InChIKey QAWIHIJWNYOLBE-OKKQSCSOSA-N
Transport InfoProduct Name: Acevexin
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