Products 159776-70-2

CAS 159776-70-2 appears in our catalog under these names: Melagatran, >95% (HPLC), Melagatran, 98%, Melagatran/ 100%, Melagatran, Melagatran, 95%, 95%. Offered by: TRC, AmBeed, TargetMol, GLPBio, Chemat. Available pack sizes: 10mg, 1mg, 5mg, 25mg, 50mg, 100mg, 5 mg, 10 mg.

Melagatran, >95% (HPLC)
TRC
  • size: 10mg, 1mg, 5mg
  • Variants: 3
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Melagatran, 98%
AmBeed
  • size: 25mg, 5mg, 50mg, 10mg
  • Variants: 4
from 1163.68
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Melagatran/ 100%
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 6
from 4317.59
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Melagatran
GLPBio
  • size: 10mg, 5mg
  • Variants: 2
from 8226.25
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Melagatran, 95%, 95%
Chemat
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 4
from 1398.80
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Melagatran, 99.31%
MedChemExpress
  • size: 5 mg, 10 mg, 1 mg, 25 mg
  • Variants: 7
from 3254.70
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Structural formula: {0} (CAS {1})

Melagatran is a member of the class of azetidines that is (2S)-azetidine 2-carboxylic acid in which the carboxylic acid has been converted to the amide corresponding to formal condensation with 4-(aminomethyl)benzenecarboximidamide and in which the hydrogen attached to the azetidine nitrogen is replaced by a (2R)-2-cyclohexyl-2-[(carboxymethyl)amino]acetyl group. It has a role as an anticoagulant, a serine protease inhibitor and an EC 3.4.21.5 (thrombin) inhibitor. It is a carboxamidine, a dicarboxylic acid monoamide, a member of azetidines, a secondary amino compound and a non-proteinogenic alpha-amino acid.

Source: ChEBI

Identity
Molecular formulaC22H31N5O4
Molecular weight429.5 g/mol
IUPAC name2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid
InChIKeyDKWNMCUOEDMMIN-PKOBYXMFSA-N
SMILESC1CCC(CC1)[C@H](C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O

Computed by PubChem (NCBI)

Synonyms: Melagatran, melagatranum, Melagatran [INN], Melagatran (INN), MELAGATRAN (ASTRA-ZENECA), 159776-70-2 (free base), Melagatran AstraZeneca, MELAGATRAN [MI], MELAGATRAN [MART.], MELAGATRAN [WHO-DD]