Dabigatran Etexilate - Moligand™, ≥98% , CAS No.211915-06-9

CAS: 211915-06-9 Cat. No.: D129995 Molecular Weight: 627.73 PubChem CID: 6445226

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-[2-[4-[N-(Hexyloxycarbonyl)amidino]phenylaminomethyl]-1-methyl-1H-benzimidazol-5-ylcarbonyl]-N-(2-pyridyl)-beta-alanine ethyl ester | AB01563294_01 | Rabigatran etexilate | ethyl 3-(2-((4-(N-(hexyloxycarbonyl)carbamimidoyl)phenylamino)methyl)-1-methyl-N

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Dabigatran Etexilate is the prodrug of dabigatran, a potent, nonpeptidic small molecule that specifically and reversibly inhibits both free and clot-bound thrombin by binding to the active site of the thrombin molecule.
An anticoagulant from the class of direct thrombin inhibitors.

Specifications

Synonyms

N-[2-[4-[N-(Hexyloxycarbonyl)amidino]phenylaminomethyl]-1-methyl-1H-benzimidazol-5-ylcarbonyl]-N-(2-pyridyl)-beta-alanine ethyl ester | AB01563294_01 | Rabigatran etexilate | ethyl 3-(2-((4-(N-(hexyloxycarbonyl)carbamimidoyl)phenylamino)methyl)-1-methyl-N

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Dabigatran etexilate is the prodrug of the active moiety dabigatran. Dabigatran etexilate has been shown to have slight, but significant drug-drug interactions when used in combination with strong P-glycoprotein inducers or inhibitors such as amiodarone o

Storage

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.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764202
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764202
• Isomeric SMILES: CCCCCCOC(=O)/N=C(/C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)\N
• PubChem CID: 6445226
• Molecular Weight: 627.73

Chemical and Physical Properties

• Solubility: Soluble in DMSO (126 mg/ml at 25 °C), water (<1 mg/ml at 25 °C), and ethanol (12 mg/ml at 25 °C).
• Sensitivity: Air Sensitive,Heat Sensitive
• Melt Point(°C): 131 °C
• Molecular Weight: 627.700 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 17
• Exact Mass: 627.317 Da
• Monoisotopic Mass: 627.317 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 1000.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Hui Guo, Lili Guo, Jianwei Yu, Fengju Zhao, Wei Yang, Jiaxin Li, Hanqi Chen, Junqing Qian.  (2024)  Magnetic nanoparticles immobilized thrombin ligand fishing to screen thrombin inhibitors in natural products.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:38513498] [10.1016/j.jpba.2024.116110]

2. Oushan Tang, Shitong Wang, Guanguan Qiu, Majun Zhang, Liping Ling, Yan Zhang, Meiqun Guo, Chunxia Shen, Bin Quan, Hongjie Lang, Qing Shen, Keyun Cheng.  (2025)  Optimized simultaneous detection of multiple Oral anticoagulants in plasma using enhanced matrix removal-lipid solid-phase extraction and LC-MS/MS.  Results in Chemistry,      [PMID:] [10.1016/j.rechem.2025.103011]

3. Jingfei Wang, Shuting Li, Liwu Liu, Fukai Liu, Cheng Lin, Yanju Liu, Jinsong Leng.  (2026)  4D-Printed Intelligent Reconfigurable Occluder With Anti-Thrombotic and Rapid-Repairing Capabilities for Patent Foramen Ovale.  Advanced Healthcare Materials,      [PMID:41645865] [10.1002/adhm.202505214]