Y1271

YM-202074 sesquifumarate salt hydrate

≥98% (HPLC)

• Synonym(s): N-cyclohexyl-6-{[(2-methoxyethyl)(methyl)amino]methyl}-N-methylthiazolo[3,2-a]benzimidazole-2-carboxamide, YM 202074, YM202074
• Empirical Formula (Hill Notation): C₂₂H₃₀N₄O₂S · 1.5C₄H₄O₄ · xH₂O
• CAS Number: 299900-84-8
• Molecular Weight: 588.67 (anhydrous basis)
• MDL number: MFCD16879020
• UNSPSC Code: 12352200
• PubChem Substance ID: 329831586
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: powder
• color: white to off-white
• solubility: DMSO: >20 mg/mL; H₂O: >5 mg/mL
• storage temp.: room temp
• SMILES string: O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.COCCN(C)Cc1ccc2nc3sc(cn3c2c1)C(=O)N(C)C4CCCCC4.COCCN(C)Cc5ccc6nc7sc(cn7c6c5)C(=O)N(C)C8CCCCC8.COCCN(C)Cc9ccc%10nc%11sc(cn%11c%10c9)C(=O)N(C)C%12CCCCC%12
• InChI: 1S/3C22H30N4O2S.2C4H4O4.H2O/c3*1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17;2*5-3(6)1-2-4(7)8;/h3*9-10,13,15,17H,4-8,11-12,14H2,1-3H3;2*1-2H,(H,5,6)(H,7,8);1H2/b;;;2*2-1+;
• InChI key: MCGFIZFYSARKON-RAMYONIISA-N

Description

Biochem/physiol Actions

YM-202074 is a potent and selective allosteric metabotropic glutamate receptor type 1 (mGluR1) antagonist. It bound an allosteric site of rat mGluR1 with a Ki value of 4.8 nM. It also inhibited the mGluR1-mediated inositol phosphates production in rat cerebellar granule cells with an IC50 value of 8.6 nM, while showing selectivity over mGluR(2-7).

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H301,H319
• Precautionary Statements: P264 - P280 - P301 + P310 - P305 + P351 + P338 - P337 + P313 - P405
• Hazard Classifications: Acute Tox. 3 Oral - Eye Irrit. 2
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable