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Key Documents

M5942

Sigma-Aldrich

MRS 2395

≥98% (HPLC), solid

Synonym(s):

2,2-Dimethyl-propionic acid 3-(2-chloro-6-methylaminopurin-9-yl)-2-(2,2-dimethyl-propionyloxymethyl)-propyl ester

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About This Item

Empirical Formula (Hill Notation):
C20H30ClN5O4
CAS Number:
Molecular Weight:
439.94
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77

Quality Level

Assay

≥98% (HPLC)

form

solid

color

white

solubility

DMSO: >10 mg/mL
H2O: insoluble

SMILES string

CNc1nc(Cl)nc2n(CC(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C)cnc12

InChI

1S/C20H30ClN5O4/c1-19(2,3)16(27)29-9-12(10-30-17(28)20(4,5)6)8-26-11-23-13-14(22-7)24-18(21)25-15(13)26/h11-12H,8-10H2,1-7H3,(H,22,24,25)

InChI key

NASABYJQIYJDID-UHFFFAOYSA-N

Biochem/physiol Actions

Antagonist for P2Y12 purinoceptor; inhibits ADP-induced aggregation in rat platelets and antagonizes ADP-induced inhibition of cAMP in rat and human platelets in the presence of PGE1 without affecting P2Y1 receptor-induced PLC activity in transfected astrocytoma cells.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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