Skip to the beginning of the images gallery

methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate - 97%, high purity , CAS No.113665-84-2

3 Citations

COA

Grade & Purity:

≥97%

Cas Number: 113665-84-2
Molecular Weight: 321.82
EC Number: 601-269-2
MDL number: MFCD05662337
PubChem CID: 60606

In stock

Item Number

M637412

Grouped product items
SKU	Size	Availability	Price
M637412-100mg	100mg	3	$26.90
M637412-250mg	250mg	3	$42.90
M637412-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$301.90
M637412-5g	5g	1	$306.90

View related series

Class A GPCR (4138) Heterocyclic block (497)

Basic Description

Synonyms	(+)-Clopidogrel \| (S)-Clopidogrel \| CHEBI:37941 \| Clopidogrel Acino \| Clopidogrel Hexal \| UNII-A74586SNO7 \| SR 25990 \| clopidogrel \| HSDB 7430 \| Clopidogrel bisulfate \| Clopidogrel 1A Pharma \| Plavix \| R 130964 \| Clopidogrel Winthrop \| Thrombo
Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Clopidogrel is an orally active platelet inhibitor that targets P2Y12 receptor. Clopidogrel is used to inhibit blood clots in coronary artery disease, peripheral vascular disease, and cerebrovascular disease.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid esters
Alternative Parents	Thienopyridines Aralkylamines Chlorobenzenes Aryl chlorides Pyridines and derivatives Methyl esters Heteroaromatic compounds Thiophenes Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-amino acid ester - Thienopyridine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors	methyl ester - monochlorobenzenes - thienopyridine
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP2B6 Tchem Cytochrome P450 2B6 (2 Activities)

Discover Target: CYP2B6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC6A4 Tclin Sodium-dependent serotonin transporter (2 Activities)

Discover Target: SLC6A4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
INCHI	InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1
InChIKey	GKTWGGQPFAXNFI-HNNXBMFYSA-N
Smiles	COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3
Isomeric SMILES	COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3
Alternate CAS	113665-84-2
NSC Number	748298
MeSH Entry Terms	clopidogrel;clopidogrel besilate;clopidogrel besylate;clopidogrel bisulfate;clopidogrel hydrochloride;Clopidogrel Mepha;clopidogrel napadisilate;clopidogrel Sandoz;clopidogrel, (+)(S)-isomer;clopidogrel-Mepha;Iscover;PCR 4099;PCR-4099;Plavix;SC 25989C;SC
Molecular Weight	321.82
Reaxy-Rn	9709294
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9709294&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
I2420698	Certificate of Analysis	Sep 10, 2024	M637412
I2420700	Certificate of Analysis	Sep 10, 2024	M637412
I2420701	Certificate of Analysis	Sep 10, 2024	M637412
I2420702	Certificate of Analysis	Sep 10, 2024	M637412
I2420699	Certificate of Analysis	Sep 10, 2024	M637412
I2420703	Certificate of Analysis	Sep 10, 2024	M637412
I2420704	Certificate of Analysis	Sep 10, 2024	M637412
I2420705	Certificate of Analysis	Sep 10, 2024	M637412

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	321.800 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	321.059 Da
Monoisotopic Mass	321.059 Da
Topological Polar Surface Area	57.800 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	381.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Luyao Ma, Fangjun Yu, Di He, Lianxia Guo, Yu Yang, Wangchun Li, Tianpeng Zhang. (2023) Role of circadian clock in the chronoefficacy and chronotoxicity of clopidogrel. BRITISH JOURNAL OF PHARMACOLOGY,
2. Shuai Ji, Xian Shao, Zhen-yu Su, Lei Ji, Yu-jie Wang, Yun-su Ma, Lu Zhao, Yan Du, Meng-zhe Guo, Dao-quan Tang. (2019) Segmented scan modes and polarity-based LC-MS for pharmacokinetic interaction study between Fufang Danshen Dripping Pill and Clopidogrel Bisulfate Tablet. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 174 (367).
3. Bo Fan, Yunfei Li, Yong Bi, Ling Tong, Dongxiang Li, Yi Wang. (2018) Design of multi-drug combinations for poly-pharmacological effects using composition-activity relationship modeling and multi-objective optimization approach: Application in traditional Chinese medicine. Chemical Biology & Drug Design, 93 (6): (1073-1082).

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration