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(S)-3-Acetylthio-2-methylpropionyl-L-proline

Name: (S)-3-Acetylthio-2-methylpropionyl-L-proline
Brand: 2A Biotech
SKU: 2A-9000328

CAS Number64838-55-7

SynonymsEINECS 265-250-7; MFCD00792449; (S)-3-Acetylthio-2-methylpropionyl-L-proline; 1-[(2S)-3-(Acetylsulfanyl)-2-methylpropanoyl]-L-proline; (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline

Molecular FormulaC11H17NO4S

Molecular Weight259.32

Purity98%

Density1.3±0.1 g/cm3

Boiling Point464.8±40.0 °C at 760 mmHg

Melting Point76-82 °C(lit.)

Appearancesolid

EINECS265-250-7

MSDSChinese English

Symbol

Signal WordWarning

Cat. No.: 2A-9000328 Purity: 98%

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Quality Control of [ 64838-55-7 ] Purity: 98% SDS Specification MoL

Chemical & Physical Properties
CAS Number	64838-55-7
Catalog No.	2A-9000328
Chinese Name	D-(S)-3-乙酰巯基-2-甲基丙酰基-L-脯氨酸
Synonyms	EINECS 265-250-7; MFCD00792449; (S)-3-Acetylthio-2-methylpropionyl-L-proline; 1-[(2S)-3-(Acetylsulfanyl)-2-methylpropanoyl]-L-proline; (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline
Molecular Formula	C11H17NO4S
Molecular Weight	259.32
Purity	98
Density	1.3±0.1 g/cm3
Boiling Point	464.8±40.0 °C at 760 mmHg
Melting Point	76-82 °C(lit.)
Appearance	solid
Storage Condition	Store in a sealed container in a cool, dry place.
Application	Captopril EP Impurity J is an impurity of Captopril. Captopril is a sulfhydryl-containing, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM).
EINECS	265-250-7
HTC	2933990090
SMILES	S(C[C@@H](C)C(=O)N1[C@@H](CCC1)C(=O)[O-])C(=O)C
InChI	1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/p-1/t7-,9+/m1/s1
InChI Key	ZNQRGUYIKSRYCI-APPZFPTMSA-M
NACRES Code	NA.24
UNSPSC	41116107
Hazard Symbols	Transport
MSDS	msds/328_1_64838_55_7.pdf
Bioactivity	Captopril EP Impurity J is an impurity of Captopril. Captopril (SQ-14534), antihypertensive agent, is a thiol-containing competitive, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM)[1][2][3]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Li, Hp, et al. Synthesis and characterization of captopril derivatives. Res Chem Intermed 39, 621-629 (2013). [2]. Afrin S, et al. Eritadenine from Edible Mushrooms Inhibits Activity of Angiotensin Converting Enzyme in Vitro. J Agric Food Chem. 2016;64(11):2263-2268. [3]. Esmaeili S, et al. Captopril/enalapril inhibit promiscuous esterase activity of carbonic anhydrase at micromolar concentrations: An in vitro study. Chem Biol Interact. 2017;265:24-35. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 464.8±40.0 °C at 760 mmHg Melting Point 76-82 °C(lit.) Molecular Formula C11H17NO4S Molecular Weight 259.322 Flash Point 234.9±27.3 °C Exact Mass 259.087830 PSA 99.98000 LogP 0.40 Vapour Pressure 0.0±2.5 mmHg at 25°C Index of Refraction 1.549 InChIKey ZNQRGUYIKSRYCI-APPZFPTMSA-N SMILES CC(=O)SCC(C)C(=O)N1CCCC1C(=O)O
Use of	Captopril EP Impurity J is an impurity of Captopril. Captopril (SQ-14534), antihypertensive agent, is a thiol-containing competitive, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM)[1][2][3]. Properties Name N-[3-(Acetylthio)-(2S)-methylpropionyl]-L-proline hydrate Synonym More Synonyms Captopril EP Impurity J Biological Activity Description Captopril EP Impurity J is an impurity of Captopril. Captopril (SQ-14534), antihypertensive agent, is a thiol-containing competitive, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM)[1][2][3]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Li, Hp, et al. Synthesis and characterization of captopril derivatives. Res Chem Intermed 39, 621-629 (2013). [2]. Afrin S, et al. Eritadenine from Edible Mushrooms Inhibits Activity of Angiotensin Converting Enzyme in Vitro. J Agric Food Chem. 2016;64(11):2263-2268. [3]. Esmaeili S, et al. Captopril/enalapril inhibit promiscuous esterase activity of carbonic anhydrase at micromolar concentrations: An in vitro study. Chem Biol Interact. 2017;265:24-35. Chemical & Physical Properties Molecular Formula C11H17NO4S Exact Mass 259.087830 PSA 99.98000 Index of Refraction 1.549 InChIKey ZNQRGUYIKSRYCI-APPZFPTMSA-N
Tax Rebate	13.0%
Supervision	None. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport Info	Shipping Name: UN
MSDS Transport Info	Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available

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(S)-3-Acetylthio-2-methylpropionyl-L-proline

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